15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine

C50H83NO2 — CID 165010271

IUPAC15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
SMILESCC(C)(C)C1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCCCC3)C3CCCCC32)C2OC3C(CCC4OC5CCCCC5C43)C21
InChIInChI=1S/C50H83NO2/c1-50(2,3)41-28-30-43(49-46(41)40-27-31-45-47(48(40)53-49)39-20-12-13-21-44(39)52-45)51(35-24-22-33(23-25-35)32-14-6-4-7-15-32)42-29-26-36(34-16-8-5-9-17-34)37-18-10-11-19-38(37)42/h32-49H,4-31H2,1-3H3
InChIKeyUFQUJMSRUMGXAN-UHFFFAOYSA-N
MW730.22 g/mol
LogP12.78
Rot. Bonds5

About 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine

15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine (PubChem CID 165010271) has the molecular formula C50H83NO2 and a molecular weight of 730.22 g/mol. Its IUPAC name is 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine.

Molecular Properties

Compound Name15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
PubChem CID165010271
Molecular FormulaC50H83NO2
Molecular Weight730.22 g/mol
Exact Mass729.64
IUPAC Name15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
SMILESCC(C)(C)C1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCCCC3)C3CCCCC32)C2OC3C(CCC4OC5CCCCC5C43)C21
InChIInChI=1S/C50H83NO2/c1-50(2,3)41-28-30-43(49-46(41)40-27-31-45-47(48(40)53-49)39-20-12-13-21-44(39)52-45)51(35-24-22-33(23-25-35)32-14-6-4-7-15-32)42-29-26-36(34-16-8-5-9-17-34)37-18-10-11-19-38(37)42/h32-49H,4-31H2,1-3H3
InChIKeyUFQUJMSRUMGXAN-UHFFFAOYSA-N
XLogP12.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.22
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine with MolForge

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Related Compounds

N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
CID 164961715
N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
CID 165010268
N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine
CID 164996344
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-(4-cyclohexylcyclohexyl)-7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-amine
CID 165020562
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-amine;N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-amine
CID 164996784
N-(4-cyclohexylcyclohexyl)-N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-amine
CID 165016978
N-[4-(2-cyclohexylcyclohexyl)cyclohexyl]-N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-2-amine
CID 165053116
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-3-yl)-N-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-dicyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
CID 165055213
N-[4-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-1-yl)cyclohexyl]-4-cyclohexyl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine
CID 164987274
N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-amine
CID 165057115
N,1-dicyclohexyl-N-(1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 58897797
N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-1-amine
CID 164984948

Frequently Asked Questions

What is the IUPAC name of 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
The IUPAC name of 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine (CID 165010271) is 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine.
What is the SMILES notation for 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
The canonical SMILES for 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine is CC(C)(C)C1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCCCC3)C3CCCCC32)C2OC3C(CCC4OC5CCCCC5C43)C21.
What is the InChIKey of 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
The InChIKey is UFQUJMSRUMGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H83NO2/c1-50(2,3)41-28-30-43(49-46(41)40-27-31-45-47(48(40)53-49)39-20-12-13-21-44(39)52-45)51(35-24-22-33(23-25-35)32-14-6-4-7-15-32)42-29-26-36(34-16-8-5-9-17-34)37-18-10-11-19-38(37)42/h32-49H,4-31H2,1-3H3.
What are the key properties of 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine has a molecular weight of 730.22 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine is sourced from PubChem (CID 165010271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).