(E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine

C11H18N2 — CID 67554942

IUPAC(E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC1C=CC(/C=C/CCN)=CN1C
InChIInChI=1S/C11H18N2/c1-10-6-7-11(9-13(10)2)5-3-4-8-12/h3,5-7,9-10H,4,8,12H2,1-2H3/b5-3+
InChIKeySKHCRPWQVXTWKG-HWKANZROSA-N
MW178.28 g/mol
LogP1.67
Rot. Bonds3

About (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine

(E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 67554942) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID67554942
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC1C=CC(/C=C/CCN)=CN1C
InChIInChI=1S/C11H18N2/c1-10-6-7-11(9-13(10)2)5-3-4-8-12/h3,5-7,9-10H,4,8,12H2,1-2H3/b5-3+
InChIKeySKHCRPWQVXTWKG-HWKANZROSA-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 (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine (CID 67554942) is (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine is CC1C=CC(/C=C/CCN)=CN1C.
What is the InChIKey of (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is SKHCRPWQVXTWKG-HWKANZROSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-6-7-11(9-13(10)2)5-3-4-8-12/h3,5-7,9-10H,4,8,12H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine?
(E)-4-(1,2-dimethyl-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 (E)-4-(1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 67554942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).