2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine

C10H21NS — CID 102640383

IUPAC2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CCCSCC
InChIInChI=1S/C10H21NS/c1-4-10(3,9-11)7-6-8-12-5-2/h4H,1,5-9,11H2,2-3H3
InChIKeyCJZLKZAOPHKUQB-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.67
Rot. Bonds7

About 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine

2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine (PubChem CID 102640383) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
PubChem CID102640383
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CCCSCC
InChIInChI=1S/C10H21NS/c1-4-10(3,9-11)7-6-8-12-5-2/h4H,1,5-9,11H2,2-3H3
InChIKeyCJZLKZAOPHKUQB-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.67
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 2-ethenyl-5-ethylsulfanyl-2-methylpentan-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-(1-Ethylsulfanylethenyl)-4-methylpentan-1-amine
CID 89339852
2-Methyl-4-methylsulfanylhex-5-en-1-amine
CID 146259136
2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
CID 155439741
1-(1-Amino-2,4,4-trimethyl-5-prop-2-enylsulfanylpentan-2-yl)sulfanyl-3-methylbut-3-ene-2-thiol
CID 166755666
(Z)-2-ethenylsulfanyl-3,3-dimethylhept-1-en-1-amine
CID 169816075
2-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-Ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
CID 102640361
2-Ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine
CID 102640384
2-(2-Ethylsulfanylethyl)-2-methylbut-3-en-1-amine
CID 102640434
2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine
CID 102640539
2-ethenyl-5-ethylsulfanyl-N,2-dimethylpentan-1-amine
CID 102640560
2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640612

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine (CID 102640383) is 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine is C=CC(C)(CN)CCCSCC.
What is the InChIKey of 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine?
The InChIKey is CJZLKZAOPHKUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-10(3,9-11)7-6-8-12-5-2/h4H,1,5-9,11H2,2-3H3.
What are the key properties of 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine?
2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine is sourced from PubChem (CID 102640383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).