1-(2-methylbutylsulfanyl)propan-2-amine

C8H19NS — CID 66217492

IUPAC1-(2-methylbutylsulfanyl)propan-2-amine
SMILESCCC(C)CSCC(C)N
InChIInChI=1S/C8H19NS/c1-4-7(2)5-10-6-8(3)9/h7-8H,4-6,9H2,1-3H3
InChIKeyBCJTWIIMDHQUMS-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-methylbutylsulfanyl)propan-2-amine

1-(2-methylbutylsulfanyl)propan-2-amine (PubChem CID 66217492) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 1-(2-methylbutylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylbutylsulfanyl)propan-2-amine
PubChem CID66217492
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name1-(2-methylbutylsulfanyl)propan-2-amine
SMILESCCC(C)CSCC(C)N
InChIInChI=1S/C8H19NS/c1-4-7(2)5-10-6-8(3)9/h7-8H,4-6,9H2,1-3H3
InChIKeyBCJTWIIMDHQUMS-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

Analyze 1-(2-methylbutylsulfanyl)propan-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 1-(2-methylbutylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-methylbutylsulfanyl)propan-2-amine (CID 66217492) is 1-(2-methylbutylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-methylbutylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-methylbutylsulfanyl)propan-2-amine is CCC(C)CSCC(C)N.
What is the InChIKey of 1-(2-methylbutylsulfanyl)propan-2-amine?
The InChIKey is BCJTWIIMDHQUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7(2)5-10-6-8(3)9/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-methylbutylsulfanyl)propan-2-amine?
1-(2-methylbutylsulfanyl)propan-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 1-(2-methylbutylsulfanyl)propan-2-amine is sourced from PubChem (CID 66217492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).