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

C8H17N — CID 5466585

IUPAC(E)-2,2-dimethylhex-4-en-1-amine
SMILESC/C=C/CC(C)(C)CN
InChIInChI=1S/C8H17N/c1-4-5-6-8(2,3)7-9/h4-5H,6-7,9H2,1-3H3/b5-4+
InChIKeyNCEYHJCGMBJLOG-SNAWJCMRSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds3

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

(E)-2,2-dimethylhex-4-en-1-amine (PubChem CID 5466585) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-2,2-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-2,2-dimethylhex-4-en-1-amine
PubChem CID5466585
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-2,2-dimethylhex-4-en-1-amine
SMILESC/C=C/CC(C)(C)CN
InChIInChI=1S/C8H17N/c1-4-5-6-8(2,3)7-9/h4-5H,6-7,9H2,1-3H3/b5-4+
InChIKeyNCEYHJCGMBJLOG-SNAWJCMRSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2,2-dimethylhex-4-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

Related Compounds

2,2-Dimethylpent-4-en-1-amine
CID 641831
2,2,5-Trimethylhex-4-en-1-amine
CID 1795901
2,2-Dimethylpent-4-en-1-amine hydrochloride
CID 71742514
(1-Methylcyclohex-2-en-1-yl)methanamine hydrochloride
CID 132371596
(r)-4-Fluoro-1-methylbenzylamine
CID 129850911
4-Fluoro-1-methylbenzylamine
CID 129851226
4-Penten-1-amine, 2-methyl-2-(2-propenyl)-
CID 11457737
1-Methylphenylmethylamine
CID 20261165
(R)-(+)-1-Methylbenzylamine
CID 56924128
(s)-1-Methylbenzylamine
CID 66996847
2-Ethyl-2-methylpent-4-en-1-amine
CID 126977369
(Z)-2-ethyl-5-fluorohex-3-en-1-amine
CID 89090863

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethylhex-4-en-1-amine?
The IUPAC name of (E)-2,2-dimethylhex-4-en-1-amine (CID 5466585) is (E)-2,2-dimethylhex-4-en-1-amine.
What is the SMILES notation for (E)-2,2-dimethylhex-4-en-1-amine?
The canonical SMILES for (E)-2,2-dimethylhex-4-en-1-amine is C/C=C/CC(C)(C)CN.
What is the InChIKey of (E)-2,2-dimethylhex-4-en-1-amine?
The InChIKey is NCEYHJCGMBJLOG-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-8(2,3)7-9/h4-5H,6-7,9H2,1-3H3/b5-4+.
What are the key properties of (E)-2,2-dimethylhex-4-en-1-amine?
(E)-2,2-dimethylhex-4-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethylhex-4-en-1-amine is sourced from PubChem (CID 5466585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).