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

C11H18N2 — CID 57304015

IUPAC3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(=CC1=CN(C)CC=C1)CCN
InChIInChI=1S/C11H18N2/c1-10(5-6-12)8-11-4-3-7-13(2)9-11/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyVIDSVPMRUMAZTJ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.67
Rot. Bonds3

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

3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57304015) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57304015
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(=CC1=CN(C)CC=C1)CCN
InChIInChI=1S/C11H18N2/c1-10(5-6-12)8-11-4-3-7-13(2)9-11/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyVIDSVPMRUMAZTJ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 57304015) is 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is CC(=CC1=CN(C)CC=C1)CCN.
What is the InChIKey of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is VIDSVPMRUMAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(5-6-12)8-11-4-3-7-13(2)9-11/h3-4,8-9H,5-7,12H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine?
3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57304015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).