(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine

C11H16N2 — CID 130817388

IUPAC(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cccc(C)n1
InChIInChI=1S/C11H16N2/c1-8(2)7-10(12)11-6-4-5-9(3)13-11/h4-6,10H,1,7,12H2,2-3H3/t10-/m1/s1
InChIKeyOOZPMGIREKNKAF-SNVBAGLBSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds3

About (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine

(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine (PubChem CID 130817388) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
PubChem CID130817388
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cccc(C)n1
InChIInChI=1S/C11H16N2/c1-8(2)7-10(12)11-6-4-5-9(3)13-11/h4-6,10H,1,7,12H2,2-3H3/t10-/m1/s1
InChIKeyOOZPMGIREKNKAF-SNVBAGLBSA-N
XLogP2.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
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

[3-methyl-1-(6-methyl-2-pyridinyl)but-3-enyl]hydrazine
CID 105219222
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
1-(2-bromo-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 107985156
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
The IUPAC name of (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine (CID 130817388) is (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
The canonical SMILES for (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine is C=C(C)C[C@@H](N)c1cccc(C)n1.
What is the InChIKey of (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
The InChIKey is OOZPMGIREKNKAF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)7-10(12)11-6-4-5-9(3)13-11/h4-6,10H,1,7,12H2,2-3H3/t10-/m1/s1.
What are the key properties of (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 130817388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).