(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine

C8H15N — CID 55299916

IUPAC(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
SMILESC/C=C/C(C)=C/CNC
InChIInChI=1S/C8H15N/c1-4-5-8(2)6-7-9-3/h4-6,9H,7H2,1-3H3/b5-4+,8-6+
InChIKeyVWEFFVJBKDUNRS-DVBIZMGNSA-N
MW125.21 g/mol
LogP1.73
Rot. Bonds3

About (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine

(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine (PubChem CID 55299916) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
PubChem CID55299916
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
SMILESC/C=C/C(C)=C/CNC
InChIInChI=1S/C8H15N/c1-4-5-8(2)6-7-9-3/h4-6,9H,7H2,1-3H3/b5-4+,8-6+
InChIKeyVWEFFVJBKDUNRS-DVBIZMGNSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.73
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 (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine (CID 55299916) is (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine is C/C=C/C(C)=C/CNC.
What is the InChIKey of (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine?
The InChIKey is VWEFFVJBKDUNRS-DVBIZMGNSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-8(2)6-7-9-3/h4-6,9H,7H2,1-3H3/b5-4+,8-6+.
What are the key properties of (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine?
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 55299916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).