(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine

C10H21N — CID 126548996

IUPAC(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(NC)[C@@H](CC)C(C)C
InChIInChI=1S/C10H21N/c1-6-9(8(3)4)10(7-2)11-5/h7-11H,2,6H2,1,3-5H3/t9-,10?/m0/s1
InChIKeyHDNMROSTERIHEL-RGURZIINSA-N
MW155.28 g/mol
LogP2.44
Rot. Bonds5

About (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine

(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine (PubChem CID 126548996) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine
PubChem CID126548996
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine
SMILESC=CC(NC)[C@@H](CC)C(C)C
InChIInChI=1S/C10H21N/c1-6-9(8(3)4)10(7-2)11-5/h7-11H,2,6H2,1,3-5H3/t9-,10?/m0/s1
InChIKeyHDNMROSTERIHEL-RGURZIINSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-ethyl-N,5-dimethylhex-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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine?
The IUPAC name of (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine (CID 126548996) is (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine.
What is the SMILES notation for (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine?
The canonical SMILES for (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine is C=CC(NC)[C@@H](CC)C(C)C.
What is the InChIKey of (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine?
The InChIKey is HDNMROSTERIHEL-RGURZIINSA-N. The full InChI is InChI=1S/C10H21N/c1-6-9(8(3)4)10(7-2)11-5/h7-11H,2,6H2,1,3-5H3/t9-,10?/m0/s1.
What are the key properties of (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine?
(4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-N,5-dimethylhex-1-en-3-amine is sourced from PubChem (CID 126548996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).