4-(2-methylpentylsulfanyl)butan-2-amine

C10H23NS — CID 66232136

IUPAC4-(2-methylpentylsulfanyl)butan-2-amine
SMILESCCCC(C)CSCCC(C)N
InChIInChI=1S/C10H23NS/c1-4-5-9(2)8-12-7-6-10(3)11/h9-10H,4-8,11H2,1-3H3
InChIKeySLSJHWUIWLFYDT-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.89
Rot. Bonds7

About 4-(2-methylpentylsulfanyl)butan-2-amine

4-(2-methylpentylsulfanyl)butan-2-amine (PubChem CID 66232136) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 4-(2-methylpentylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-methylpentylsulfanyl)butan-2-amine
PubChem CID66232136
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name4-(2-methylpentylsulfanyl)butan-2-amine
SMILESCCCC(C)CSCCC(C)N
InChIInChI=1S/C10H23NS/c1-4-5-9(2)8-12-7-6-10(3)11/h9-10H,4-8,11H2,1-3H3
InChIKeySLSJHWUIWLFYDT-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'}

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Related Compounds

ethane;1-ethylsulfanyl-2-methylpentane
CID 143279191
(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
(2S)-pentan-2-amine
CID 6997344
6-methylnonan-2-amine
CID 64502929
pentan-2-amine;propane
CID 166536368
potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide
CID 66233710
1-hydroxysulfanyl-2-methylpentane
CID 144539311
4-methyl-1-propylsulfanylheptan-2-ol
CID 65130129
ethyl 4-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 66104100
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
ethane;molecular hydrogen;pentan-2-amine
CID 178004416

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentylsulfanyl)butan-2-amine?
The IUPAC name of 4-(2-methylpentylsulfanyl)butan-2-amine (CID 66232136) is 4-(2-methylpentylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(2-methylpentylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(2-methylpentylsulfanyl)butan-2-amine is CCCC(C)CSCCC(C)N.
What is the InChIKey of 4-(2-methylpentylsulfanyl)butan-2-amine?
The InChIKey is SLSJHWUIWLFYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-5-9(2)8-12-7-6-10(3)11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 4-(2-methylpentylsulfanyl)butan-2-amine?
4-(2-methylpentylsulfanyl)butan-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 4-(2-methylpentylsulfanyl)butan-2-amine is sourced from PubChem (CID 66232136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).