(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine

C12H18N2 — CID 115375599

IUPAC(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine
SMILESCNCC/C=C(/C)c1cncc(C)c1
InChIInChI=1S/C12H18N2/c1-10-7-12(9-14-8-10)11(2)5-4-6-13-3/h5,7-9,13H,4,6H2,1-3H3/b11-5-
InChIKeyIKJQIBLKGIHEPU-WZUFQYTHSA-N
MW190.29 g/mol
LogP2.40
Rot. Bonds4

About (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine

(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine (PubChem CID 115375599) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine
PubChem CID115375599
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine
SMILESCNCC/C=C(/C)c1cncc(C)c1
InChIInChI=1S/C12H18N2/c1-10-7-12(9-14-8-10)11(2)5-4-6-13-3/h5,7-9,13H,4,6H2,1-3H3/b11-5-
InChIKeyIKJQIBLKGIHEPU-WZUFQYTHSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine (CID 115375599) is (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine is CNCC/C=C(/C)c1cncc(C)c1.
What is the InChIKey of (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine?
The InChIKey is IKJQIBLKGIHEPU-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-7-12(9-14-8-10)11(2)5-4-6-13-3/h5,7-9,13H,4,6H2,1-3H3/b11-5-.
What are the key properties of (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine?
(Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(5-methyl-3-pyridinyl)pent-3-en-1-amine is sourced from PubChem (CID 115375599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).