(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine

C10H14N2 — CID 130868428

IUPAC(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
SMILESC=C(C)C[C@H](N)c1cccnc1
InChIInChI=1S/C10H14N2/c1-8(2)6-10(11)9-4-3-5-12-7-9/h3-5,7,10H,1,6,11H2,2H3/t10-/m0/s1
InChIKeySTVMKEOJYWGWEB-JTQLQIEISA-N
MW162.24 g/mol
LogP2.05
Rot. Bonds3

About (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine

(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine (PubChem CID 130868428) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
PubChem CID130868428
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
SMILESC=C(C)C[C@H](N)c1cccnc1
InChIInChI=1S/C10H14N2/c1-8(2)6-10(11)9-4-3-5-12-7-9/h3-5,7,10H,1,6,11H2,2H3/t10-/m0/s1
InChIKeySTVMKEOJYWGWEB-JTQLQIEISA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.05
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)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
2-amino-2-pyridin-3-ylethanol
CID 2734590
N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 79178920
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
CID 160853710
(1S)-1-(6-chloro-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 131057518
3-amino-N',N'-dimethyl-3-pyridin-3-ylpropanehydrazide
CID 116850071
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
The IUPAC name of (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine (CID 130868428) is (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine.
What is the SMILES notation for (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
The canonical SMILES for (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine is C=C(C)C[C@H](N)c1cccnc1.
What is the InChIKey of (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
The InChIKey is STVMKEOJYWGWEB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)6-10(11)9-4-3-5-12-7-9/h3-5,7,10H,1,6,11H2,2H3/t10-/m0/s1.
What are the key properties of (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine is sourced from PubChem (CID 130868428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).