(E)-2,4-dimethylhex-1-en-1-amine

C8H17N — CID 126594000

IUPAC(E)-2,4-dimethylhex-1-en-1-amine
SMILESCCC(C)C/C(C)=C/N
InChIInChI=1S/C8H17N/c1-4-7(2)5-8(3)6-9/h6-7H,4-5,9H2,1-3H3/b8-6+
InChIKeyFCUYQGTWHZWDMJ-SOFGYWHQSA-N
MW127.23 g/mol
LogP2.29
Rot. Bonds3

About (E)-2,4-dimethylhex-1-en-1-amine

(E)-2,4-dimethylhex-1-en-1-amine (PubChem CID 126594000) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-2,4-dimethylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-2,4-dimethylhex-1-en-1-amine
PubChem CID126594000
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-2,4-dimethylhex-1-en-1-amine
SMILESCCC(C)C/C(C)=C/N
InChIInChI=1S/C8H17N/c1-4-7(2)5-8(3)6-9/h6-7H,4-5,9H2,1-3H3/b8-6+
InChIKeyFCUYQGTWHZWDMJ-SOFGYWHQSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2,4-dimethylhex-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2,4-dimethylhex-1-en-1-amine?
The IUPAC name of (E)-2,4-dimethylhex-1-en-1-amine (CID 126594000) is (E)-2,4-dimethylhex-1-en-1-amine.
What is the SMILES notation for (E)-2,4-dimethylhex-1-en-1-amine?
The canonical SMILES for (E)-2,4-dimethylhex-1-en-1-amine is CCC(C)C/C(C)=C/N.
What is the InChIKey of (E)-2,4-dimethylhex-1-en-1-amine?
The InChIKey is FCUYQGTWHZWDMJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7(2)5-8(3)6-9/h6-7H,4-5,9H2,1-3H3/b8-6+.
What are the key properties of (E)-2,4-dimethylhex-1-en-1-amine?
(E)-2,4-dimethylhex-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-dimethylhex-1-en-1-amine is sourced from PubChem (CID 126594000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).