(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine

C12H19N — CID 143512259

IUPAC(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C)CCN(C)C(=C)C
InChIInChI=1S/C12H19N/c1-6-8-12(7-2)9-10-13(5)11(3)4/h6-8H,1-3,9-10H2,4-5H3/b12-8+
InChIKeyHNSIYKUHTFTXOQ-XYOKQWHBSA-N
MW177.29 g/mol
LogP3.14
Rot. Bonds6

About (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine

(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (PubChem CID 143512259) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
PubChem CID143512259
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C)CCN(C)C(=C)C
InChIInChI=1S/C12H19N/c1-6-8-12(7-2)9-10-13(5)11(3)4/h6-8H,1-3,9-10H2,4-5H3/b12-8+
InChIKeyHNSIYKUHTFTXOQ-XYOKQWHBSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (CID 143512259) is (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is C=C/C=C(\C=C)CCN(C)C(=C)C.
What is the InChIKey of (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The InChIKey is HNSIYKUHTFTXOQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H19N/c1-6-8-12(7-2)9-10-13(5)11(3)4/h6-8H,1-3,9-10H2,4-5H3/b12-8+.
What are the key properties of (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 143512259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).