2-propan-2-ylsulfanylpentan-3-amine

C8H19NS — CID 64633850

IUPAC2-propan-2-ylsulfanylpentan-3-amine
SMILESCCC(N)C(C)SC(C)C
InChIInChI=1S/C8H19NS/c1-5-8(9)7(4)10-6(2)3/h6-8H,5,9H2,1-4H3
InChIKeyDOGDYAHRKVHWSI-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.25
Rot. Bonds4

About 2-propan-2-ylsulfanylpentan-3-amine

2-propan-2-ylsulfanylpentan-3-amine (PubChem CID 64633850) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpentan-3-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpentan-3-amine
PubChem CID64633850
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2-propan-2-ylsulfanylpentan-3-amine
SMILESCCC(N)C(C)SC(C)C
InChIInChI=1S/C8H19NS/c1-5-8(9)7(4)10-6(2)3/h6-8H,5,9H2,1-4H3
InChIKeyDOGDYAHRKVHWSI-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpentan-3-amine?
The IUPAC name of 2-propan-2-ylsulfanylpentan-3-amine (CID 64633850) is 2-propan-2-ylsulfanylpentan-3-amine.
What is the SMILES notation for 2-propan-2-ylsulfanylpentan-3-amine?
The canonical SMILES for 2-propan-2-ylsulfanylpentan-3-amine is CCC(N)C(C)SC(C)C.
What is the InChIKey of 2-propan-2-ylsulfanylpentan-3-amine?
The InChIKey is DOGDYAHRKVHWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-5-8(9)7(4)10-6(2)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-propan-2-ylsulfanylpentan-3-amine?
2-propan-2-ylsulfanylpentan-3-amine has a molecular weight of 161.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpentan-3-amine is sourced from PubChem (CID 64633850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).