1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine

C17H36N2O2 — CID 103178113

IUPAC1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(CCOCCCOC)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H36N2O2/c1-4-10-19(11-14-21-13-5-12-20-3)17(15-18)8-6-16(2)7-9-17/h16H,4-15,18H2,1-3H3
InChIKeyHNEPBVCQVLGAGM-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.66
Rot. Bonds11

About 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine

1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 103178113) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID103178113
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(CCOCCCOC)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H36N2O2/c1-4-10-19(11-14-21-13-5-12-20-3)17(15-18)8-6-16(2)7-9-17/h16H,4-15,18H2,1-3H3
InChIKeyHNEPBVCQVLGAGM-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine 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

1-(aminomethyl)-4-methyl-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005623
1-(aminomethyl)-N,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006382
1-(aminomethyl)-N-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006744
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754485
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754487
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755295
1-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755298
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755321
1-(aminomethyl)-N,4-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65804931
1-(aminomethyl)-N-ethyl-4-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65805150
1-(aminomethyl)-4-methyl-N-propyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65805151
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 81058406

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine (CID 103178113) is 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine is CCCN(CCOCCCOC)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is HNEPBVCQVLGAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-4-10-19(11-14-21-13-5-12-20-3)17(15-18)8-6-16(2)7-9-17/h16H,4-15,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103178113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).