(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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Launch Full Analysis

Related Compounds

ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512258
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
(2E)-2-ethenyl-N-methyl-N-propylpenta-2,4-dien-1-amine
CID 143803419
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
N'-methyl-N'-prop-1-en-2-ylethane-1,2-diamine
CID 130357566
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide
CID 162387344
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
CID 158832591

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).