(2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine

C12H23N — CID 88556647

IUPAC(2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine
SMILESC/C=C\C(N)=C/CC(C)CC(C)C
InChIInChI=1S/C12H23N/c1-5-6-12(13)8-7-11(4)9-10(2)3/h5-6,8,10-11H,7,9,13H2,1-4H3/b6-5-,12-8+
InChIKeyMZURDPQLLUBGDF-ZBKAMDABSA-N
MW181.32 g/mol
LogP3.48
Rot. Bonds5

About (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine

(2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine (PubChem CID 88556647) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine
PubChem CID88556647
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine
SMILESC/C=C\C(N)=C/CC(C)CC(C)C
InChIInChI=1S/C12H23N/c1-5-6-12(13)8-7-11(4)9-10(2)3/h5-6,8,10-11H,7,9,13H2,1-4H3/b6-5-,12-8+
InChIKeyMZURDPQLLUBGDF-ZBKAMDABSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
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 (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine (CID 88556647) is (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine is C/C=C\C(N)=C/CC(C)CC(C)C.
What is the InChIKey of (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine?
The InChIKey is MZURDPQLLUBGDF-ZBKAMDABSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-12(13)8-7-11(4)9-10(2)3/h5-6,8,10-11H,7,9,13H2,1-4H3/b6-5-,12-8+.
What are the key properties of (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine?
(2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine has a molecular weight of 181.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7,9-dimethyldeca-2,4-dien-4-amine is sourced from PubChem (CID 88556647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).