N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine

C13H19ClN2 — CID 106125721

IUPACN-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NCC2CCC(Cl)CC2)nc1
InChIInChI=1S/C13H19ClN2/c1-10-2-7-13(15-8-10)16-9-11-3-5-12(14)6-4-11/h2,7-8,11-12H,3-6,9H2,1H3,(H,15,16)
InChIKeyDWYMQBMDSHSGAW-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.60
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine

N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine (PubChem CID 106125721) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
PubChem CID106125721
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NCC2CCC(Cl)CC2)nc1
InChIInChI=1S/C13H19ClN2/c1-10-2-7-13(15-8-10)16-9-11-3-5-12(14)6-4-11/h2,7-8,11-12H,3-6,9H2,1H3,(H,15,16)
InChIKeyDWYMQBMDSHSGAW-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine (CID 106125721) is N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine is Cc1ccc(NCC2CCC(Cl)CC2)nc1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine?
The InChIKey is DWYMQBMDSHSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-2-7-13(15-8-10)16-9-11-3-5-12(14)6-4-11/h2,7-8,11-12H,3-6,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine?
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine has a molecular weight of 238.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 106125721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).