N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine

C14H21ClN2 — CID 63388277

IUPACN-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
SMILESCc1ccc(N(CCCl)C2CCCCC2)nc1
InChIInChI=1S/C14H21ClN2/c1-12-7-8-14(16-11-12)17(10-9-15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyFOGYWWXBCYQBOU-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.77
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine

N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine (PubChem CID 63388277) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
PubChem CID63388277
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
SMILESCc1ccc(N(CCCl)C2CCCCC2)nc1
InChIInChI=1S/C14H21ClN2/c1-12-7-8-14(16-11-12)17(10-9-15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyFOGYWWXBCYQBOU-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.77
H-Bond Donors ≤ 50
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-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine (CID 63388277) is N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine is Cc1ccc(N(CCCl)C2CCCCC2)nc1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine?
The InChIKey is FOGYWWXBCYQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-7-8-14(16-11-12)17(10-9-15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine?
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine is sourced from PubChem (CID 63388277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).