(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine

C12H19N — CID 162762569

IUPAC(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C(/C)C=C)N(C)CC
InChIInChI=1S/C12H19N/c1-6-9-10-12(11(4)7-2)13(5)8-3/h6-7,9-10H,1-2,8H2,3-5H3/b10-9-,12-11-
InChIKeyQPHLNHKUTXPPIY-BASFJDSNSA-N
MW177.29 g/mol
LogP3.14
Rot. Bonds5

About (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine

(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine (PubChem CID 162762569) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
PubChem CID162762569
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
SMILESC=C/C=C\C(=C(/C)C=C)N(C)CC
InChIInChI=1S/C12H19N/c1-6-9-10-12(11(4)7-2)13(5)8-3/h6-7,9-10H,1-2,8H2,3-5H3/b10-9-,12-11-
InChIKeyQPHLNHKUTXPPIY-BASFJDSNSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine with MolForge

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Related Compounds

(2Z)-N'-ethenyl-N-ethyl-N-methylpenta-2,4-dienimidamide
CID 166999090
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077
(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
CID 142864476
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
CID 142987567
(3E,5Z)-3-methyl-N-prop-1-en-2-ylocta-1,3,5,7-tetraen-4-amine
CID 170231380
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
5-methylocta-1,3,5-triene
CID 123706098
(1Z)-1-[ethyl-[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl]amino]-2-methylbuta-1,3-dien-1-ol
CID 140523828
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine?
The IUPAC name of (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine (CID 162762569) is (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine.
What is the SMILES notation for (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine?
The canonical SMILES for (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine is C=C/C=C\C(=C(/C)C=C)N(C)CC.
What is the InChIKey of (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine?
The InChIKey is QPHLNHKUTXPPIY-BASFJDSNSA-N. The full InChI is InChI=1S/C12H19N/c1-6-9-10-12(11(4)7-2)13(5)8-3/h6-7,9-10H,1-2,8H2,3-5H3/b10-9-,12-11-.
What are the key properties of (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine?
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine has a molecular weight of 177.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine is sourced from PubChem (CID 162762569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).