(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine

C9H17N — CID 118650866

IUPAC(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine
SMILESCC/C=C\C=C(/C)N(C)C
InChIInChI=1S/C9H17N/c1-5-6-7-8-9(2)10(3)4/h6-8H,5H2,1-4H3/b7-6-,9-8+
InChIKeyKOAWHRBZHOXDFF-NMMTYZSQSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds3

About (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine

(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine (PubChem CID 118650866) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine
PubChem CID118650866
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine
SMILESCC/C=C\C=C(/C)N(C)C
InChIInChI=1S/C9H17N/c1-5-6-7-8-9(2)10(3)4/h6-8H,5H2,1-4H3/b7-6-,9-8+
InChIKeyKOAWHRBZHOXDFF-NMMTYZSQSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
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 (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine (CID 118650866) is (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine is CC/C=C\C=C(/C)N(C)C.
What is the InChIKey of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine?
The InChIKey is KOAWHRBZHOXDFF-NMMTYZSQSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-7-8-9(2)10(3)4/h6-8H,5H2,1-4H3/b7-6-,9-8+.
What are the key properties of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine?
(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 118650866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).