N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane

C131H219N11O4 — CID 157118464

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane
SMILESCC.CC(c1ccccn1)N(C)C1CCC(C(C)(C)C)CC1.CC(c1cccnc1)N(C)C1CCC(C(C)(C)C)CC1.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccn1)C1CCC(C(C)(C)C)CC1.CN(Cc1cccnc1)C1CCC(C(C)(C)C)CC1.COCCOC
InChIInChI=1S/C19H29NO2.2C18H30N2.2C18H29N.2C17H28N2.C4H10O2.C2H6/c1-19(2,3)15-6-8-16(9-7-15)20(4)12-14-5-10-17-18(11-14)22-13-21-17;1-14(15-7-6-12-19-13-15)20(5)17-10-8-16(9-11-17)18(2,3)4;1-14(17-8-6-7-13-19-17)20(5)16-11-9-15(10-12-16)18(2,3)4;2*1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-17(2,3)15-7-9-16(10-8-15)19(4)13-14-6-5-11-18-12-14;1-17(2,3)14-8-10-16(11-9-14)19(4)13-15-7-5-6-12-18-15;1-5-3-4-6-2;1-2/h5,10-11,15-16H,6-9,12-13H2,1-4H3;6-7,12-14,16-17H,8-11H2,1-5H3;6-8,13-16H,9-12H2,1-5H3;2*5-9,16-17H,10-14H2,1-4H3;5-6,11-12,15-16H,7-10,13H2,1-4H3;5-7,12,14,16H,8-11,13H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyAHRHNMJADYSULV-UHFFFAOYSA-N
MW2012.27 g/mol
LogP32.80
Rot. Bonds24

About N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane

N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane (PubChem CID 157118464) has the molecular formula C131H219N11O4 and a molecular weight of 2012.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane
PubChem CID157118464
Molecular FormulaC131H219N11O4
Molecular Weight2012.27 g/mol
Exact Mass2010.73
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane
SMILESCC.CC(c1ccccn1)N(C)C1CCC(C(C)(C)C)CC1.CC(c1cccnc1)N(C)C1CCC(C(C)(C)C)CC1.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccn1)C1CCC(C(C)(C)C)CC1.CN(Cc1cccnc1)C1CCC(C(C)(C)C)CC1.COCCOC
InChIInChI=1S/C19H29NO2.2C18H30N2.2C18H29N.2C17H28N2.C4H10O2.C2H6/c1-19(2,3)15-6-8-16(9-7-15)20(4)12-14-5-10-17-18(11-14)22-13-21-17;1-14(15-7-6-12-19-13-15)20(5)17-10-8-16(9-11-17)18(2,3)4;1-14(17-8-6-7-13-19-17)20(5)16-11-9-15(10-12-16)18(2,3)4;2*1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-17(2,3)15-7-9-16(10-8-15)19(4)13-14-6-5-11-18-12-14;1-17(2,3)14-8-10-16(11-9-14)19(4)13-15-7-5-6-12-18-15;1-5-3-4-6-2;1-2/h5,10-11,15-16H,6-9,12-13H2,1-4H3;6-7,12-14,16-17H,8-11H2,1-5H3;6-8,13-16H,9-12H2,1-5H3;2*5-9,16-17H,10-14H2,1-4H3;5-6,11-12,15-16H,7-10,13H2,1-4H3;5-7,12,14,16H,8-11,13H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyAHRHNMJADYSULV-UHFFFAOYSA-N
XLogP32.80
TPSA111.16 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.27
LogP ≤ 532.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Berberine sulfate anhydrous
CID 9424
Berberine sulfate trihydrate
CID 71587234
16,17-Dimethoxy-21-(3-pyridin-4-ylpropyl)-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
CID 146048117
17-Methoxy-16-[2-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]ethoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dibromide
CID 46906936
17-Methoxy-16-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]propoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dibromide
CID 46906938
17-Methoxy-16-[4-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]butoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dibromide
CID 46906939
17-Methoxy-16-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]propoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dichloride
CID 11643450
17-Methoxy-16-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxymethoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dichloride
CID 44400815
17-Methoxy-16-[4-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]butoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dichloride
CID 44400817
17-Methoxy-16-[5-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]pentoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dichloride
CID 44400936
17-Methoxy-16-[6-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl)oxy]hexoxy]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene dichloride
CID 44400938
16,17-Dimethoxy-19-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
CID 155540817

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane (CID 157118464) is N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane is CC.CC(c1ccccn1)N(C)C1CCC(C(C)(C)C)CC1.CC(c1cccnc1)N(C)C1CCC(C(C)(C)C)CC1.CN(Cc1ccc2c(c1)OCO2)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccc1)C1CCC(C(C)(C)C)CC1.CN(Cc1ccccn1)C1CCC(C(C)(C)C)CC1.CN(Cc1cccnc1)C1CCC(C(C)(C)C)CC1.COCCOC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane?
The InChIKey is AHRHNMJADYSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2.2C18H30N2.2C18H29N.2C17H28N2.C4H10O2.C2H6/c1-19(2,3)15-6-8-16(9-7-15)20(4)12-14-5-10-17-18(11-14)22-13-21-17;1-14(15-7-6-12-19-13-15)20(5)17-10-8-16(9-11-17)18(2,3)4;1-14(17-8-6-7-13-19-17)20(5)16-11-9-15(10-12-16)18(2,3)4;2*1-18(2,3)16-10-12-17(13-11-16)19(4)14-15-8-6-5-7-9-15;1-17(2,3)15-7-9-16(10-8-15)19(4)13-14-6-5-11-18-12-14;1-17(2,3)14-8-10-16(11-9-14)19(4)13-15-7-5-6-12-18-15;1-5-3-4-6-2;1-2/h5,10-11,15-16H,6-9,12-13H2,1-4H3;6-7,12-14,16-17H,8-11H2,1-5H3;6-8,13-16H,9-12H2,1-5H3;2*5-9,16-17H,10-14H2,1-4H3;5-6,11-12,15-16H,7-10,13H2,1-4H3;5-7,12,14,16H,8-11,13H2,1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane?
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane has a molecular weight of 2012.27 g/mol, XLogP of 32.80, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-methylcyclohexan-1-amine;bis(N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine);4-tert-butyl-N-methyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine;4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;1,2-dimethoxyethane;ethane is sourced from PubChem (CID 157118464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).