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

C16H31N — CID 143512258

IUPACethane;(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.CC.CC
InChIInChI=1S/C12H19N.2C2H6/c1-6-8-12(7-2)9-10-13(5)11(3)4;2*1-2/h6-8H,1-3,9-10H2,4-5H3;2*1-2H3/b12-8+;;
InChIKeyXVDRORZPGBCQLB-BPWZRWDXSA-N
MW237.43 g/mol
LogP5.19
Rot. Bonds6

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

ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (PubChem CID 143512258) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
PubChem CID143512258
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Nameethane;(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.CC.CC
InChIInChI=1S/C12H19N.2C2H6/c1-6-8-12(7-2)9-10-13(5)11(3)4;2*1-2/h6-8H,1-3,9-10H2,4-5H3;2*1-2H3/b12-8+;;
InChIKeyXVDRORZPGBCQLB-BPWZRWDXSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(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
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide
CID 162387344

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (CID 143512258) is ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for ethane;(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.CC.CC.
What is the InChIKey of ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The InChIKey is XVDRORZPGBCQLB-BPWZRWDXSA-N. The full InChI is InChI=1S/C12H19N.2C2H6/c1-6-8-12(7-2)9-10-13(5)11(3)4;2*1-2/h6-8H,1-3,9-10H2,4-5H3;2*1-2H3/b12-8+;;.
What are the key properties of ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine has a molecular weight of 237.43 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 143512258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).