1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine

C18H36N2 — CID 63485457

IUPAC1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CCCC1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C18H36N2/c1-3-13-20(14-17-7-5-6-8-17)18(15-19)11-9-16(4-2)10-12-18/h16-17H,3-15,19H2,1-2H3
InChIKeyPJNANXQUMXSCNA-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.19
Rot. Bonds7

About 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 63485457) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID63485457
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CCCC1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C18H36N2/c1-3-13-20(14-17-7-5-6-8-17)18(15-19)11-9-16(4-2)10-12-18/h16-17H,3-15,19H2,1-2H3
InChIKeyPJNANXQUMXSCNA-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-4-ethyl-N-(oxan-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 62384555
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
CID 64500122
1-(aminomethyl)-4-ethyl-N-propyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 62698202
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64750874
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine (CID 63485457) is 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine is CCCN(CC1CCCC1)C1(CN)CCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is PJNANXQUMXSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-13-20(14-17-7-5-6-8-17)18(15-19)11-9-16(4-2)10-12-18/h16-17H,3-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63485457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).