(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine

C9H12N2 — CID 130619604

IUPAC(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccc(C)n1
InChIInChI=1S/C9H12N2/c1-3-8(10)9-6-4-5-7(2)11-9/h3-6,8H,1,10H2,2H3/t8-/m0/s1
InChIKeyOPWCIENKEZAFOS-QMMMGPOBSA-N
MW148.21 g/mol
LogP1.58
Rot. Bonds2

About (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine

(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine (PubChem CID 130619604) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
PubChem CID130619604
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccc(C)n1
InChIInChI=1S/C9H12N2/c1-3-8(10)9-6-4-5-7(2)11-9/h3-6,8H,1,10H2,2H3/t8-/m0/s1
InChIKeyOPWCIENKEZAFOS-QMMMGPOBSA-N
XLogP1.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55273929
(1S)-1-(6-ethenyl-2-pyridinyl)prop-2-en-1-amine
CID 74891770
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021
(1S)-1-(6-bromo-2-pyridinyl)prop-2-en-1-amine;hydrochloride
CID 171222960
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
CID 130909691
6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
CID 55293225
1-(4,6-dimethyl-2-pyridinyl)prop-2-en-1-amine
CID 130506037
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
CID 115530047
(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 55273784
2-methyl-6-propan-2-ylpyridine
CID 12791785
2-(difluoromethyl)-6-methylpyridine
CID 54772274

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine (CID 130619604) is (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine is C=C[C@H](N)c1cccc(C)n1.
What is the InChIKey of (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is OPWCIENKEZAFOS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8(10)9-6-4-5-7(2)11-9/h3-6,8H,1,10H2,2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine?
(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 130619604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).