N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide

C15H23N3O — CID 81483186

IUPACN-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
SMILESNCC1CCCCC1NC(=O)CCc1cccnc1
InChIInChI=1S/C15H23N3O/c16-10-13-5-1-2-6-14(13)18-15(19)8-7-12-4-3-9-17-11-12/h3-4,9,11,13-14H,1-2,5-8,10,16H2,(H,18,19)
InChIKeyMDCBNGGPUNYHGV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide

N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide (PubChem CID 81483186) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
PubChem CID81483186
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
SMILESNCC1CCCCC1NC(=O)CCc1cccnc1
InChIInChI=1S/C15H23N3O/c16-10-13-5-1-2-6-14(13)18-15(19)8-7-12-4-3-9-17-11-12/h3-4,9,11,13-14H,1-2,5-8,10,16H2,(H,18,19)
InChIKeyMDCBNGGPUNYHGV-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
CID 154822153
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
CID 119610062
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[(1R,2R)-2-aminocyclohexyl]-3-pyridin-4-ylpropanamide
CID 113265421
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide (CID 81483186) is N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide is NCC1CCCCC1NC(=O)CCc1cccnc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide?
The InChIKey is MDCBNGGPUNYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-10-13-5-1-2-6-14(13)18-15(19)8-7-12-4-3-9-17-11-12/h3-4,9,11,13-14H,1-2,5-8,10,16H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide?
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 81483186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).