2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine

C8H19NS — CID 43529814

IUPAC2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine
SMILESCC(C)CSCC(C)CN
InChIInChI=1S/C8H19NS/c1-7(2)5-10-6-8(3)4-9/h7-8H,4-6,9H2,1-3H3
InChIKeyHMIWXZWCOYINMU-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine

2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine (PubChem CID 43529814) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine
PubChem CID43529814
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine
SMILESCC(C)CSCC(C)CN
InChIInChI=1S/C8H19NS/c1-7(2)5-10-6-8(3)4-9/h7-8H,4-6,9H2,1-3H3
InChIKeyHMIWXZWCOYINMU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine (CID 43529814) is 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine is CC(C)CSCC(C)CN.
What is the InChIKey of 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine?
The InChIKey is HMIWXZWCOYINMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-7(2)5-10-6-8(3)4-9/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine?
2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine is sourced from PubChem (CID 43529814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).