(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine

C9H15N — CID 59083522

IUPAC(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(/C=C/C)N(C)C
InChIInChI=1S/C9H15N/c1-5-7-9(8-6-2)10(3)4/h5-8H,1H2,2-4H3/b8-6+,9-7-
InChIKeyVLZNLAYXLJGURE-FFELTBSMSA-N
MW137.23 g/mol
LogP2.19
Rot. Bonds3

About (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine

(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine (PubChem CID 59083522) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine
PubChem CID59083522
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(/C=C/C)N(C)C
InChIInChI=1S/C9H15N/c1-5-7-9(8-6-2)10(3)4/h5-8H,1H2,2-4H3/b8-6+,9-7-
InChIKeyVLZNLAYXLJGURE-FFELTBSMSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.19
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-dimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine (CID 59083522) is (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine is C=C/C=C(/C=C/C)N(C)C.
What is the InChIKey of (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine?
The InChIKey is VLZNLAYXLJGURE-FFELTBSMSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(8-6-2)10(3)4/h5-8H,1H2,2-4H3/b8-6+,9-7-.
What are the key properties of (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine?
(3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine has a molecular weight of 137.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N,N-dimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 59083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).