1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine

C17H29N3 — CID 63264588

IUPAC1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCCN(CCc1cccnc1)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H29N3/c1-3-20(12-8-16-5-4-11-19-13-16)17(14-18)9-6-15(2)7-10-17/h4-5,11,13,15H,3,6-10,12,14,18H2,1-2H3
InChIKeyRZSWCFFQNRPGHD-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.85
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (PubChem CID 63264588) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
PubChem CID63264588
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCCN(CCc1cccnc1)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H29N3/c1-3-20(12-8-16-5-4-11-19-13-16)17(14-18)9-6-15(2)7-10-17/h4-5,11,13,15H,3,6-10,12,14,18H2,1-2H3
InChIKeyRZSWCFFQNRPGHD-UHFFFAOYSA-N
XLogP2.85
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
CID 63264720
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264545
1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62128099
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 60916311
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
CID 79119944
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 104736535
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (CID 63264588) is 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is CCN(CCc1cccnc1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The InChIKey is RZSWCFFQNRPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-20(12-8-16-5-4-11-19-13-16)17(14-18)9-6-15(2)7-10-17/h4-5,11,13,15H,3,6-10,12,14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 63264588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).