N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine

C9H13ClN2 — CID 63392372

IUPACN-(2-chloroethyl)-N,5-dimethylpyridin-2-amine
SMILESCc1ccc(N(C)CCCl)nc1
InChIInChI=1S/C9H13ClN2/c1-8-3-4-9(11-7-8)12(2)6-5-10/h3-4,7H,5-6H2,1-2H3
InChIKeyJLHNSIDFKRVJKJ-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.07
Rot. Bonds3

About N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine

N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine (PubChem CID 63392372) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,5-dimethylpyridin-2-amine
PubChem CID63392372
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN-(2-chloroethyl)-N,5-dimethylpyridin-2-amine
SMILESCc1ccc(N(C)CCCl)nc1
InChIInChI=1S/C9H13ClN2/c1-8-3-4-9(11-7-8)12(2)6-5-10/h3-4,7H,5-6H2,1-2H3
InChIKeyJLHNSIDFKRVJKJ-UHFFFAOYSA-N
XLogP2.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.07
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,5-dimethylpyridin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine (CID 63392372) is N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine is Cc1ccc(N(C)CCCl)nc1.
What is the InChIKey of N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine?
The InChIKey is JLHNSIDFKRVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-8-3-4-9(11-7-8)12(2)6-5-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine?
N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine has a molecular weight of 184.67 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 63392372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).