N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine

C18H29NS — CID 107009294

IUPACN-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
SMILESC=CCCCCCC(CSc1cccc(C)c1)NCC
InChIInChI=1S/C18H29NS/c1-4-6-7-8-9-12-17(19-5-2)15-20-18-13-10-11-16(3)14-18/h4,10-11,13-14,17,19H,1,5-9,12,15H2,2-3H3
InChIKeyGOJHFWZFSWCNTM-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.20
Rot. Bonds11

About N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine

N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine (PubChem CID 107009294) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
PubChem CID107009294
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
SMILESC=CCCCCCC(CSc1cccc(C)c1)NCC
InChIInChI=1S/C18H29NS/c1-4-6-7-8-9-12-17(19-5-2)15-20-18-13-10-11-16(3)14-18/h4,10-11,13-14,17,19H,1,5-9,12,15H2,2-3H3
InChIKeyGOJHFWZFSWCNTM-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(3-methylphenyl)sulfanylnon-8-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-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine (CID 107009294) is N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine is C=CCCCCCC(CSc1cccc(C)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine?
The InChIKey is GOJHFWZFSWCNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-4-6-7-8-9-12-17(19-5-2)15-20-18-13-10-11-16(3)14-18/h4,10-11,13-14,17,19H,1,5-9,12,15H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine?
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine has a molecular weight of 291.50 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine is sourced from PubChem (CID 107009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).