N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine

C13H19ClN2 — CID 103969232

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
SMILESClCC1(CNc2ccccn2)CCCCC1
InChIInChI=1S/C13H19ClN2/c14-10-13(7-3-1-4-8-13)11-16-12-6-2-5-9-15-12/h2,5-6,9H,1,3-4,7-8,10-11H2,(H,15,16)
InChIKeyUAHKDYZLBHMGSM-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.68
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine

N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine (PubChem CID 103969232) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
PubChem CID103969232
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
SMILESClCC1(CNc2ccccn2)CCCCC1
InChIInChI=1S/C13H19ClN2/c14-10-13(7-3-1-4-8-13)11-16-12-6-2-5-9-15-12/h2,5-6,9H,1,3-4,7-8,10-11H2,(H,15,16)
InChIKeyUAHKDYZLBHMGSM-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 103969220
5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 115363614
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-2-amine
CID 113294666
N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 115455827
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
CID 113294684
N-[[3-(aminomethyl)oxetan-3-yl]methyl]pyridin-2-amine
CID 115249253
N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742931
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 115455809
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-fluoropyrimidin-2-amine
CID 104606755
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine (CID 103969232) is N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine is ClCC1(CNc2ccccn2)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine?
The InChIKey is UAHKDYZLBHMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-10-13(7-3-1-4-8-13)11-16-12-6-2-5-9-15-12/h2,5-6,9H,1,3-4,7-8,10-11H2,(H,15,16).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine?
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine is sourced from PubChem (CID 103969232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).