5-(3-methylbutylsulfanyl)pentan-2-amine

C10H23NS — CID 107764237

IUPAC5-(3-methylbutylsulfanyl)pentan-2-amine
SMILESCC(C)CCSCCCC(C)N
InChIInChI=1S/C10H23NS/c1-9(2)6-8-12-7-4-5-10(3)11/h9-10H,4-8,11H2,1-3H3
InChIKeyLVZDKMUVDHUUHW-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.89
Rot. Bonds7

About 5-(3-methylbutylsulfanyl)pentan-2-amine

5-(3-methylbutylsulfanyl)pentan-2-amine (PubChem CID 107764237) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 5-(3-methylbutylsulfanyl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-methylbutylsulfanyl)pentan-2-amine
PubChem CID107764237
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name5-(3-methylbutylsulfanyl)pentan-2-amine
SMILESCC(C)CCSCCCC(C)N
InChIInChI=1S/C10H23NS/c1-9(2)6-8-12-7-4-5-10(3)11/h9-10H,4-8,11H2,1-3H3
InChIKeyLVZDKMUVDHUUHW-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-methylbutylsulfanyl)pentan-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

Related Compounds

3-methyl-1-(3-methylbutylsulfanyl)butane
CID 10990
1-(4-methylpentylsulfanyl)propan-2-amine
CID 83158887
6-butylsulfanylhexan-2-amine
CID 64611512
(2S)-2-amino-4-(4-methylpentylsulfanyl)butanoic acid
CID 134212604
6-(2-methoxyethylsulfanyl)hexan-2-amine
CID 64615572
4-(3-ethylsulfonylpropylsulfanyl)butan-2-amine
CID 66233954
docosane-2,21-diamine
CID 150079956
1-N-[3-(11-methyldodecylsulfanyl)propyl]propane-1,2-diamine
CID 21488148
5-(3-aminobutylsulfanyl)-2,2-dimethylpentanenitrile
CID 66233474
N-tert-butyl-4-(3-methylbutylsulfanyl)butan-1-amine
CID 107757723
5-[(4-chlorophenyl)methylsulfanyl]pentan-2-amine
CID 114792656
ethyl 2-amino-2-methyl-5-(3-methylbutylsulfanyl)pentanoate
CID 107756236

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylsulfanyl)pentan-2-amine?
The IUPAC name of 5-(3-methylbutylsulfanyl)pentan-2-amine (CID 107764237) is 5-(3-methylbutylsulfanyl)pentan-2-amine.
What is the SMILES notation for 5-(3-methylbutylsulfanyl)pentan-2-amine?
The canonical SMILES for 5-(3-methylbutylsulfanyl)pentan-2-amine is CC(C)CCSCCCC(C)N.
What is the InChIKey of 5-(3-methylbutylsulfanyl)pentan-2-amine?
The InChIKey is LVZDKMUVDHUUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-9(2)6-8-12-7-4-5-10(3)11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 5-(3-methylbutylsulfanyl)pentan-2-amine?
5-(3-methylbutylsulfanyl)pentan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylsulfanyl)pentan-2-amine is sourced from PubChem (CID 107764237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).