N,5-dimethylhex-4-en-2-amine

C8H17N — CID 123421000

IUPACN,5-dimethylhex-4-en-2-amine
SMILESCNC(C)CC=C(C)C
InChIInChI=1S/C8H17N/c1-7(2)5-6-8(3)9-4/h5,8-9H,6H2,1-4H3
InChIKeyUSGJLFQRSFLZNT-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds3

About N,5-dimethylhex-4-en-2-amine

N,5-dimethylhex-4-en-2-amine (PubChem CID 123421000) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,5-dimethylhex-4-en-2-amine.

Molecular Properties

Compound NameN,5-dimethylhex-4-en-2-amine
PubChem CID123421000
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,5-dimethylhex-4-en-2-amine
SMILESCNC(C)CC=C(C)C
InChIInChI=1S/C8H17N/c1-7(2)5-6-8(3)9-4/h5,8-9H,6H2,1-4H3
InChIKeyUSGJLFQRSFLZNT-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,5-dimethylhex-4-en-2-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 N,5-dimethylhex-4-en-2-amine?
The IUPAC name of N,5-dimethylhex-4-en-2-amine (CID 123421000) is N,5-dimethylhex-4-en-2-amine.
What is the SMILES notation for N,5-dimethylhex-4-en-2-amine?
The canonical SMILES for N,5-dimethylhex-4-en-2-amine is CNC(C)CC=C(C)C.
What is the InChIKey of N,5-dimethylhex-4-en-2-amine?
The InChIKey is USGJLFQRSFLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)5-6-8(3)9-4/h5,8-9H,6H2,1-4H3.
What are the key properties of N,5-dimethylhex-4-en-2-amine?
N,5-dimethylhex-4-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhex-4-en-2-amine is sourced from PubChem (CID 123421000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).