3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine

C18H36N2 — CID 64735469

IUPAC3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCCN(CC2C(C)CC(C)CC2N)CC1
InChIInChI=1S/C18H36N2/c1-4-6-16-7-5-9-20(10-8-16)13-17-15(3)11-14(2)12-18(17)19/h14-18H,4-13,19H2,1-3H3
InChIKeyOFBGWJPXGNCCFV-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds4

About 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine

3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 64735469) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID64735469
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCCN(CC2C(C)CC(C)CC2N)CC1
InChIInChI=1S/C18H36N2/c1-4-6-16-7-5-9-20(10-8-16)13-17-15(3)11-14(2)12-18(17)19/h14-18H,4-13,19H2,1-3H3
InChIKeyOFBGWJPXGNCCFV-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735456
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
3,5-dimethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 64735862
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine (CID 64735469) is 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine is CCCC1CCCN(CC2C(C)CC(C)CC2N)CC1.
What is the InChIKey of 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is OFBGWJPXGNCCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-6-16-7-5-9-20(10-8-16)13-17-15(3)11-14(2)12-18(17)19/h14-18H,4-13,19H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(4-propylazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64735469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).