N-(2-chloropropyl)-3-methylpyridin-4-amine

C9H13ClN2 — CID 65027865

IUPACN-(2-chloropropyl)-3-methylpyridin-4-amine
SMILESCc1cnccc1NCC(C)Cl
InChIInChI=1S/C9H13ClN2/c1-7-5-11-4-3-9(7)12-6-8(2)10/h3-5,8H,6H2,1-2H3,(H,11,12)
InChIKeyMHAAYHKCSRRAQT-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.43
Rot. Bonds3

About N-(2-chloropropyl)-3-methylpyridin-4-amine

N-(2-chloropropyl)-3-methylpyridin-4-amine (PubChem CID 65027865) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-methylpyridin-4-amine
PubChem CID65027865
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN-(2-chloropropyl)-3-methylpyridin-4-amine
SMILESCc1cnccc1NCC(C)Cl
InChIInChI=1S/C9H13ClN2/c1-7-5-11-4-3-9(7)12-6-8(2)10/h3-5,8H,6H2,1-2H3,(H,11,12)
InChIKeyMHAAYHKCSRRAQT-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.43
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

3-methyl-N-(2,3,3-trimethylbutyl)pyridin-4-amine
CID 83144536
3-ethyl-1-N-(3-methyl-4-pyridinyl)pentane-1,2-diamine
CID 106287078
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427
2-hydroxy-3-[(3-methyl-4-pyridinyl)amino]propanamide
CID 106170708
N-(2-ethylhexyl)-3-methylpyridin-4-amine
CID 107816390
3-methyl-N-(7-methyloctyl)pyridin-4-amine
CID 107816087
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518
N-(4-chloro-2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 106141575
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857
3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
CID 65110464
N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide
CID 131945504

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-methylpyridin-4-amine?
The IUPAC name of N-(2-chloropropyl)-3-methylpyridin-4-amine (CID 65027865) is N-(2-chloropropyl)-3-methylpyridin-4-amine.
What is the SMILES notation for N-(2-chloropropyl)-3-methylpyridin-4-amine?
The canonical SMILES for N-(2-chloropropyl)-3-methylpyridin-4-amine is Cc1cnccc1NCC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)-3-methylpyridin-4-amine?
The InChIKey is MHAAYHKCSRRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7-5-11-4-3-9(7)12-6-8(2)10/h3-5,8H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(2-chloropropyl)-3-methylpyridin-4-amine?
N-(2-chloropropyl)-3-methylpyridin-4-amine has a molecular weight of 184.67 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-methylpyridin-4-amine is sourced from PubChem (CID 65027865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).