N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine

C13H20ClN3 — CID 79840186

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine
SMILESNCC1CCCCC1CNc1ccncc1Cl
InChIInChI=1S/C13H20ClN3/c14-12-9-16-6-5-13(12)17-8-11-4-2-1-3-10(11)7-15/h5-6,9-11H,1-4,7-8,15H2,(H,16,17)
InChIKeySGJKDPILXFLCQR-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.91
Rot. Bonds4

About N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine

N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine (PubChem CID 79840186) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine
PubChem CID79840186
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine
SMILESNCC1CCCCC1CNc1ccncc1Cl
InChIInChI=1S/C13H20ClN3/c14-12-9-16-6-5-13(12)17-8-11-4-2-1-3-10(11)7-15/h5-6,9-11H,1-4,7-8,15H2,(H,16,17)
InChIKeySGJKDPILXFLCQR-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
3-chloro-N-[(4-chlorocyclohexyl)methyl]pyridin-4-amine
CID 106125656
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
CID 79840711
1-N-(3-chloro-4-pyridinyl)cycloheptane-1,2-diamine
CID 79841115
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594
3-chloro-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]pyridin-4-amine
CID 154767727
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
CID 79840715
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine
CID 64926899

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine (CID 79840186) is N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine is NCC1CCCCC1CNc1ccncc1Cl.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine?
The InChIKey is SGJKDPILXFLCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c14-12-9-16-6-5-13(12)17-8-11-4-2-1-3-10(11)7-15/h5-6,9-11H,1-4,7-8,15H2,(H,16,17).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine is sourced from PubChem (CID 79840186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).