3-(dipropylamino)cyclopentane-1-carbonitrile

C12H22N2 — CID 66607727

IUPAC3-(dipropylamino)cyclopentane-1-carbonitrile
SMILESCCCN(CCC)C1CCC(C#N)C1
InChIInChI=1S/C12H22N2/c1-3-7-14(8-4-2)12-6-5-11(9-12)10-13/h11-12H,3-9H2,1-2H3
InChIKeyMIUJAIUXLIGBMI-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds5

About 3-(dipropylamino)cyclopentane-1-carbonitrile

3-(dipropylamino)cyclopentane-1-carbonitrile (PubChem CID 66607727) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(dipropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(dipropylamino)cyclopentane-1-carbonitrile
PubChem CID66607727
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(dipropylamino)cyclopentane-1-carbonitrile
SMILESCCCN(CCC)C1CCC(C#N)C1
InChIInChI=1S/C12H22N2/c1-3-7-14(8-4-2)12-6-5-11(9-12)10-13/h11-12H,3-9H2,1-2H3
InChIKeyMIUJAIUXLIGBMI-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(dipropylamino)cyclopentane-1-carbonitrile (CID 66607727) is 3-(dipropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(dipropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(dipropylamino)cyclopentane-1-carbonitrile is CCCN(CCC)C1CCC(C#N)C1.
What is the InChIKey of 3-(dipropylamino)cyclopentane-1-carbonitrile?
The InChIKey is MIUJAIUXLIGBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-14(8-4-2)12-6-5-11(9-12)10-13/h11-12H,3-9H2,1-2H3.
What are the key properties of 3-(dipropylamino)cyclopentane-1-carbonitrile?
3-(dipropylamino)cyclopentane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 66607727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).