1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine

C13H19ClN2 — CID 65024881

IUPAC1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESClCC1(NCc2ccccn2)CCCCC1
InChIInChI=1S/C13H19ClN2/c14-11-13(7-3-1-4-8-13)16-10-12-6-2-5-9-15-12/h2,5-6,9,16H,1,3-4,7-8,10-11H2
InChIKeyBZLZYVQBCSRUPP-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.11
Rot. Bonds4

About 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine

1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65024881) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
PubChem CID65024881
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESClCC1(NCc2ccccn2)CCCCC1
InChIInChI=1S/C13H19ClN2/c14-11-13(7-3-1-4-8-13)16-10-12-6-2-5-9-15-12/h2,5-6,9,16H,1,3-4,7-8,10-11H2
InChIKeyBZLZYVQBCSRUPP-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
CID 65026218
1-phenyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 126726884
1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
CID 65025996
[1-[(pyridin-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358745
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
CID 62521004
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
N-[(5-bromothiophen-2-yl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024610

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine (CID 65024881) is 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine is ClCC1(NCc2ccccn2)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is BZLZYVQBCSRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-11-13(7-3-1-4-8-13)16-10-12-6-2-5-9-15-12/h2,5-6,9,16H,1,3-4,7-8,10-11H2.
What are the key properties of 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 238.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65024881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).