N,2,4-trimethylhex-1-en-3-amine

C9H19N — CID 79177496

IUPACN,2,4-trimethylhex-1-en-3-amine
SMILESCCC(C)C(C(=C)C)NC
InChIInChI=1S/C9H19N/c1-6-8(4)9(10-5)7(2)3/h8-10H,2,6H2,1,3-5H3
InChIKeyPWTGCSZOWPDEPX-UHFFFAOYSA-N
MW141.25 g/mol
LogP2.80
Rot. Bonds4

About N,2,4-trimethylhex-1-en-3-amine

N,2,4-trimethylhex-1-en-3-amine (PubChem CID 79177496) has the molecular formula C9H19N and a molecular weight of 141.25 g/mol. Its IUPAC name is N,2,4-trimethylhex-1-en-3-amine.

Molecular Properties

Compound NameN,2,4-trimethylhex-1-en-3-amine
PubChem CID79177496
Molecular FormulaC9H19N
Molecular Weight141.25 g/mol
Exact Mass141.15
IUPAC NameN,2,4-trimethylhex-1-en-3-amine
SMILESCCC(C)C(C(=C)C)NC
InChIInChI=1S/C9H19N/c1-6-8(4)9(10-5)7(2)3/h8-10H,2,6H2,1,3-5H3
InChIKeyPWTGCSZOWPDEPX-UHFFFAOYSA-N
XLogP2.80
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity107

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,4-trimethylhex-1-en-3-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

4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
N,5-dimethylhex-5-en-2-amine
CID 55286663
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094
(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine
CID 143062399
4-ethyl-2-methyl-N-propylhex-5-en-3-amine
CID 170847793
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-amine
CID 9979933
N,2,4-trimethylpent-1-en-3-amine
CID 20706268
N,2,6-trimethylhepta-1,6-dien-4-amine
CID 20708591

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethylhex-1-en-3-amine?
The IUPAC name of N,2,4-trimethylhex-1-en-3-amine (CID 79177496) is N,2,4-trimethylhex-1-en-3-amine.
What is the SMILES notation for N,2,4-trimethylhex-1-en-3-amine?
The canonical SMILES for N,2,4-trimethylhex-1-en-3-amine is CCC(C)C(C(=C)C)NC.
What is the InChIKey of N,2,4-trimethylhex-1-en-3-amine?
The InChIKey is PWTGCSZOWPDEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-8(4)9(10-5)7(2)3/h8-10H,2,6H2,1,3-5H3.
What are the key properties of N,2,4-trimethylhex-1-en-3-amine?
N,2,4-trimethylhex-1-en-3-amine has a molecular weight of 141.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethylhex-1-en-3-amine is sourced from PubChem (CID 79177496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).