2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

C11H18N2 — CID 57279485

IUPAC2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C=CC1=CN(C)CC=C1)CN
InChIInChI=1S/C11H18N2/c1-10(8-12)5-6-11-4-3-7-13(2)9-11/h3-6,9-10H,7-8,12H2,1-2H3
InChIKeyXUDCVYWVKZOYBQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.52
Rot. Bonds3

About 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine

2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57279485) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57279485
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C=CC1=CN(C)CC=C1)CN
InChIInChI=1S/C11H18N2/c1-10(8-12)5-6-11-4-3-7-13(2)9-11/h3-6,9-10H,7-8,12H2,1-2H3
InChIKeyXUDCVYWVKZOYBQ-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dihydropyridin-5-ylmethanamine
CID 270515
4-Propan-2-yl-1,2-dihydropyridine
CID 420922
5-Methyl-1,2-dihydropyridine
CID 424458
4-(1-methyl-2H-pyridin-5-yl)but-3-yn-1-amine
CID 19974419
1-(1-methyl-2H-pyridin-5-yl)ethanamine
CID 21743714
2-(1-methyl-2H-pyridin-5-yl)ethanamine
CID 21743744
3-(1-methyl-2H-pyridin-3-yl)propan-1-amine
CID 21948972
1-methyl-5-(2-methylbut-1-enyl)-2H-pyridine
CID 53958287
(1-methyl-2H-pyridin-5-yl)methanamine
CID 54552988
5-Methyl-1,2-dihydropyridin-1-ium
CID 54569648
1,5-dimethyl-2H-pyridin-2-amine
CID 56624006
4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57064971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 57279485) is 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is CC(C=CC1=CN(C)CC=C1)CN.
What is the InChIKey of 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is XUDCVYWVKZOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(8-12)5-6-11-4-3-7-13(2)9-11/h3-6,9-10H,7-8,12H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57279485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).