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

C16H27N3 — CID 63264545

IUPAC1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCCN(CCc1cccnc1)C1(CN)CCCCC1
InChIInChI=1S/C16H27N3/c1-2-19(12-8-15-7-6-11-18-13-15)16(14-17)9-4-3-5-10-16/h6-7,11,13H,2-5,8-10,12,14,17H2,1H3
InChIKeyMPPAOJHLXFKVNR-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.61
Rot. Bonds6

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

1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (PubChem CID 63264545) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
PubChem CID63264545
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCCN(CCc1cccnc1)C1(CN)CCCCC1
InChIInChI=1S/C16H27N3/c1-2-19(12-8-15-7-6-11-18-13-15)16(14-17)9-4-3-5-10-16/h6-7,11,13H,2-5,8-10,12,14,17H2,1H3
InChIKeyMPPAOJHLXFKVNR-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.61
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-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264588
1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
CID 62008128
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
CID 62008932
1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
CID 62010529
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
CID 62006003

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (CID 63264545) is 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is CCN(CCc1cccnc1)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The InChIKey is MPPAOJHLXFKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-19(12-8-15-7-6-11-18-13-15)16(14-17)9-4-3-5-10-16/h6-7,11,13H,2-5,8-10,12,14,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.61, 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-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 63264545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).