2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile

C10H20N2S — CID 63055145

IUPAC2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile
SMILESCC(C)NC(C#N)CCSC(C)C
InChIInChI=1S/C10H20N2S/c1-8(2)12-10(7-11)5-6-13-9(3)4/h8-10,12H,5-6H2,1-4H3
InChIKeyFDQWCWSYCFHVKV-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.41
Rot. Bonds6

About 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile

2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile (PubChem CID 63055145) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile
PubChem CID63055145
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile
SMILESCC(C)NC(C#N)CCSC(C)C
InChIInChI=1S/C10H20N2S/c1-8(2)12-10(7-11)5-6-13-9(3)4/h8-10,12H,5-6H2,1-4H3
InChIKeyFDQWCWSYCFHVKV-UHFFFAOYSA-N
XLogP2.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile?
The IUPAC name of 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile (CID 63055145) is 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile.
What is the SMILES notation for 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile?
The canonical SMILES for 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile is CC(C)NC(C#N)CCSC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile?
The InChIKey is FDQWCWSYCFHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)12-10(7-11)5-6-13-9(3)4/h8-10,12H,5-6H2,1-4H3.
What are the key properties of 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile?
2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile has a molecular weight of 200.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-propan-2-ylsulfanylbutanenitrile is sourced from PubChem (CID 63055145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).