(3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine

C12H23N — CID 129112357

IUPAC(3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine
SMILESCC/C=C(C(/C)=C(\C)CC)\N(C)C
InChIInChI=1S/C12H23N/c1-7-9-12(13(5)6)11(4)10(3)8-2/h9H,7-8H2,1-6H3/b11-10+,12-9-
InChIKeyCPJTZVMAUUKYOI-MWOVLNQWSA-N
MW181.32 g/mol
LogP3.59
Rot. Bonds4

About (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine

(3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine (PubChem CID 129112357) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine
PubChem CID129112357
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine
SMILESCC/C=C(C(/C)=C(\C)CC)\N(C)C
InChIInChI=1S/C12H23N/c1-7-9-12(13(5)6)11(4)10(3)8-2/h9H,7-8H2,1-6H3/b11-10+,12-9-
InChIKeyCPJTZVMAUUKYOI-MWOVLNQWSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.59
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,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine?
The IUPAC name of (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine (CID 129112357) is (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine.
What is the SMILES notation for (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine?
The canonical SMILES for (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine is CC/C=C(C(/C)=C(\C)CC)\N(C)C.
What is the InChIKey of (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine?
The InChIKey is CPJTZVMAUUKYOI-MWOVLNQWSA-N. The full InChI is InChI=1S/C12H23N/c1-7-9-12(13(5)6)11(4)10(3)8-2/h9H,7-8H2,1-6H3/b11-10+,12-9-.
What are the key properties of (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine?
(3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine has a molecular weight of 181.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N,N,5,6-tetramethylocta-3,5-dien-4-amine is sourced from PubChem (CID 129112357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).