2-(dipropylamino)butanenitrile

C10H20N2 — CID 12510990

IUPAC2-(dipropylamino)butanenitrile
SMILESCCCN(CCC)C(C#N)CC
InChIInChI=1S/C10H20N2/c1-4-7-12(8-5-2)10(6-3)9-11/h10H,4-8H2,1-3H3
InChIKeyNGCXOIHYMXSGCW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.41
Rot. Bonds6

About 2-(dipropylamino)butanenitrile

2-(dipropylamino)butanenitrile (PubChem CID 12510990) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(dipropylamino)butanenitrile.

Molecular Properties

Compound Name2-(dipropylamino)butanenitrile
PubChem CID12510990
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(dipropylamino)butanenitrile
SMILESCCCN(CCC)C(C#N)CC
InChIInChI=1S/C10H20N2/c1-4-7-12(8-5-2)10(6-3)9-11/h10H,4-8H2,1-3H3
InChIKeyNGCXOIHYMXSGCW-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)butanenitrile?
The IUPAC name of 2-(dipropylamino)butanenitrile (CID 12510990) is 2-(dipropylamino)butanenitrile.
What is the SMILES notation for 2-(dipropylamino)butanenitrile?
The canonical SMILES for 2-(dipropylamino)butanenitrile is CCCN(CCC)C(C#N)CC.
What is the InChIKey of 2-(dipropylamino)butanenitrile?
The InChIKey is NGCXOIHYMXSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-12(8-5-2)10(6-3)9-11/h10H,4-8H2,1-3H3.
What are the key properties of 2-(dipropylamino)butanenitrile?
2-(dipropylamino)butanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)butanenitrile is sourced from PubChem (CID 12510990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).