(2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine

C8H15N — CID 60086294

IUPAC(2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/C)\N(C)C
InChIInChI=1S/C8H15N/c1-5-7-8(6-2)9(3)4/h5-7H,1-4H3/b7-5-,8-6+
InChIKeyFYFBIZNFVTWJQB-CGXWXWIYSA-N
MW125.21 g/mol
LogP2.20
Rot. Bonds2

About (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine

(2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine (PubChem CID 60086294) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine
PubChem CID60086294
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/C)\N(C)C
InChIInChI=1S/C8H15N/c1-5-7-8(6-2)9(3)4/h5-7H,1-4H3/b7-5-,8-6+
InChIKeyFYFBIZNFVTWJQB-CGXWXWIYSA-N
XLogP2.20
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity121

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.20
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-dimethylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine (CID 60086294) is (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine is C/C=C\C(=C/C)\N(C)C.
What is the InChIKey of (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine?
The InChIKey is FYFBIZNFVTWJQB-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7-8(6-2)9(3)4/h5-7H,1-4H3/b7-5-,8-6+.
What are the key properties of (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine?
(2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N-dimethylhexa-2,4-dien-3-amine is sourced from PubChem (CID 60086294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).