4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine

C18H37N3 — CID 65078813

IUPAC4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-12-21-13-5-10-18(15-19,11-14-21)20(3)17-8-6-16(2)7-9-17/h16-17H,4-15,19H2,1-3H3
InChIKeyWMRARXRMDQIHIP-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.09
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine

4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine (PubChem CID 65078813) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
PubChem CID65078813
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-12-21-13-5-10-18(15-19,11-14-21)20(3)17-8-6-16(2)7-9-17/h16-17H,4-15,19H2,1-3H3
InChIKeyWMRARXRMDQIHIP-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
4-(aminomethyl)-N-butyl-N-cyclopropyl-1-propylazepan-4-amine
CID 65078374
4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-propylazepan-4-ol
CID 79125588
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 62977319
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine (CID 65078813) is 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine is CCCN1CCCC(CN)(N(C)C2CCC(C)CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine?
The InChIKey is WMRARXRMDQIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-12-21-13-5-10-18(15-19,11-14-21)20(3)17-8-6-16(2)7-9-17/h16-17H,4-15,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine has a molecular weight of 295.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65078813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).