2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine

C10H13ClN2 — CID 102881049

IUPAC2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1cncc(C)c1
InChIInChI=1S/C10H13ClN2/c1-8-3-10(6-12-4-8)7-13-5-9(2)11/h3-4,6,13H,2,5,7H2,1H3
InChIKeyQBQGKKVYTWWTKS-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine

2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine (PubChem CID 102881049) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
PubChem CID102881049
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCc1cncc(C)c1
InChIInChI=1S/C10H13ClN2/c1-8-3-10(6-12-4-8)7-13-5-9(2)11/h3-4,6,13H,2,5,7H2,1H3
InChIKeyQBQGKKVYTWWTKS-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
CID 102881066
1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102879073
N-[(3-bromo-4-methylphenyl)methyl]-2-chloroprop-2-en-1-amine
CID 115876498
2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106117164
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine (CID 102881049) is 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine is C=C(Cl)CNCc1cncc(C)c1.
What is the InChIKey of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine?
The InChIKey is QBQGKKVYTWWTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-8-3-10(6-12-4-8)7-13-5-9(2)11/h3-4,6,13H,2,5,7H2,1H3.
What are the key properties of 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine?
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 102881049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).