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

C13H22N2O — CID 70255677

IUPAC(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C)OC1=CC(/C=C/CCN)=CN(C)C1
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-12(6-4-5-7-14)9-15(3)10-13/h4,6,8-9,11H,5,7,10,14H2,1-3H3/b6-4+
InChIKeyUVKFRZDPRCIVCF-GQCTYLIASA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds5

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

(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 70255677) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID70255677
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C)OC1=CC(/C=C/CCN)=CN(C)C1
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-12(6-4-5-7-14)9-15(3)10-13/h4,6,8-9,11H,5,7,10,14H2,1-3H3/b6-4+
InChIKeyUVKFRZDPRCIVCF-GQCTYLIASA-N
XLogP2.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine (CID 70255677) is (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine is CC(C)OC1=CC(/C=C/CCN)=CN(C)C1.
What is the InChIKey of (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is UVKFRZDPRCIVCF-GQCTYLIASA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)16-13-8-12(6-4-5-7-14)9-15(3)10-13/h4,6,8-9,11H,5,7,10,14H2,1-3H3/b6-4+.
What are the key properties of (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 70255677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).