3-methyl-1-propylsulfanylbutan-2-amine

C8H19NS — CID 65128665

IUPAC3-methyl-1-propylsulfanylbutan-2-amine
SMILESCCCSCC(N)C(C)C
InChIInChI=1S/C8H19NS/c1-4-5-10-6-8(9)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyHNGKSGKTMXYMQG-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.11
Rot. Bonds5

About 3-methyl-1-propylsulfanylbutan-2-amine

3-methyl-1-propylsulfanylbutan-2-amine (PubChem CID 65128665) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 3-methyl-1-propylsulfanylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-propylsulfanylbutan-2-amine
PubChem CID65128665
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name3-methyl-1-propylsulfanylbutan-2-amine
SMILESCCCSCC(N)C(C)C
InChIInChI=1S/C8H19NS/c1-4-5-10-6-8(9)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyHNGKSGKTMXYMQG-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.11
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

3-methyl-1-methylsulfanylbutan-2-amine
CID 62691517
ethyl 3-oxo-2-(propylsulfanylmethyl)butanoate
CID 138376815
N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine
CID 65129210
1-propylsulfanylundecan-2-amine
CID 65129364
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
3-methyl-4-propylsulfanylbut-1-ene
CID 90951175
1-cyclohexyl-2-propylsulfanylethanamine
CID 65128728
4-(2-methylpentylsulfanyl)butan-2-amine
CID 66232136
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
4-methyl-1-propylsulfanylheptan-2-ol
CID 65130129
1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128851
1-bromo-2-(propylsulfanylmethyl)butane
CID 65000454

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylsulfanylbutan-2-amine?
The IUPAC name of 3-methyl-1-propylsulfanylbutan-2-amine (CID 65128665) is 3-methyl-1-propylsulfanylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-propylsulfanylbutan-2-amine?
The canonical SMILES for 3-methyl-1-propylsulfanylbutan-2-amine is CCCSCC(N)C(C)C.
What is the InChIKey of 3-methyl-1-propylsulfanylbutan-2-amine?
The InChIKey is HNGKSGKTMXYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-5-10-6-8(9)7(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3-methyl-1-propylsulfanylbutan-2-amine?
3-methyl-1-propylsulfanylbutan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylsulfanylbutan-2-amine is sourced from PubChem (CID 65128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).