1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine

C17H29N3 — CID 62006003

IUPAC1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
SMILESCCCN(CCc1ccccn1)C1(CN)CCCCC1
InChIInChI=1S/C17H29N3/c1-2-13-20(14-9-16-8-4-7-12-19-16)17(15-18)10-5-3-6-11-17/h4,7-8,12H,2-3,5-6,9-11,13-15,18H2,1H3
InChIKeyVTMJVZKWYPEVOO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.00
Rot. Bonds7

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

1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine (PubChem CID 62006003) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
PubChem CID62006003
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine
SMILESCCCN(CCc1ccccn1)C1(CN)CCCCC1
InChIInChI=1S/C17H29N3/c1-2-13-20(14-9-16-8-4-7-12-19-16)17(15-18)10-5-3-6-11-17/h4,7-8,12H,2-3,5-6,9-11,13-15,18H2,1H3
InChIKeyVTMJVZKWYPEVOO-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-propyl-N-(2-pyridin-4-ylethyl)cycloheptan-1-amine
CID 62008128
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
1-(aminomethyl)-3-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 106821725
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
N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
3-(aminomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)thian-3-amine
CID 79957696
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 65212670
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 104678721
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine (CID 62006003) is 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine is CCCN(CCc1ccccn1)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine?
The InChIKey is VTMJVZKWYPEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-13-20(14-9-16-8-4-7-12-19-16)17(15-18)10-5-3-6-11-17/h4,7-8,12H,2-3,5-6,9-11,13-15,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propyl-N-(2-pyridin-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 62006003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).