3-(dipropylamino)butanenitrile

C10H20N2 — CID 21421441

IUPAC3-(dipropylamino)butanenitrile
SMILESCCCN(CCC)C(C)CC#N
InChIInChI=1S/C10H20N2/c1-4-8-12(9-5-2)10(3)6-7-11/h10H,4-6,8-9H2,1-3H3
InChIKeyAPGUJPGQSUJVFB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.41
Rot. Bonds6

About 3-(dipropylamino)butanenitrile

3-(dipropylamino)butanenitrile (PubChem CID 21421441) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(dipropylamino)butanenitrile.

Molecular Properties

Compound Name3-(dipropylamino)butanenitrile
PubChem CID21421441
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(dipropylamino)butanenitrile
SMILESCCCN(CCC)C(C)CC#N
InChIInChI=1S/C10H20N2/c1-4-8-12(9-5-2)10(3)6-7-11/h10H,4-6,8-9H2,1-3H3
InChIKeyAPGUJPGQSUJVFB-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 3-(dipropylamino)butanenitrile?
The IUPAC name of 3-(dipropylamino)butanenitrile (CID 21421441) is 3-(dipropylamino)butanenitrile.
What is the SMILES notation for 3-(dipropylamino)butanenitrile?
The canonical SMILES for 3-(dipropylamino)butanenitrile is CCCN(CCC)C(C)CC#N.
What is the InChIKey of 3-(dipropylamino)butanenitrile?
The InChIKey is APGUJPGQSUJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-8-12(9-5-2)10(3)6-7-11/h10H,4-6,8-9H2,1-3H3.
What are the key properties of 3-(dipropylamino)butanenitrile?
3-(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 3-(dipropylamino)butanenitrile is sourced from PubChem (CID 21421441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).