2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine

C10H23NS — CID 62576949

IUPAC2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)CSC(C)CNC(C)C
InChIInChI=1S/C10H23NS/c1-8(2)7-12-10(5)6-11-9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyZEHNFVCHCJLTHP-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine

2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine (PubChem CID 62576949) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
PubChem CID62576949
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)CSC(C)CNC(C)C
InChIInChI=1S/C10H23NS/c1-8(2)7-12-10(5)6-11-9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyZEHNFVCHCJLTHP-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine (CID 62576949) is 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine is CC(C)CSC(C)CNC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZEHNFVCHCJLTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-8(2)7-12-10(5)6-11-9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine?
2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62576949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).