4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine

C11H25NS — CID 62577982

IUPAC4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)CSCCCCNC(C)C
InChIInChI=1S/C11H25NS/c1-10(2)9-13-8-6-5-7-12-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyVUUCAELLBBKURD-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds8

About 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine

4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine (PubChem CID 62577982) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine
PubChem CID62577982
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)CSCCCCNC(C)C
InChIInChI=1S/C11H25NS/c1-10(2)9-13-8-6-5-7-12-11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyVUUCAELLBBKURD-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine (CID 62577982) is 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine is CC(C)CSCCCCNC(C)C.
What is the InChIKey of 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is VUUCAELLBBKURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-10(2)9-13-8-6-5-7-12-11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine?
4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfanyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62577982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).