3-(dibutylamino)cyclopentane-1-carbonitrile

C14H26N2 — CID 66606491

IUPAC3-(dibutylamino)cyclopentane-1-carbonitrile
SMILESCCCCN(CCCC)C1CCC(C#N)C1
InChIInChI=1S/C14H26N2/c1-3-5-9-16(10-6-4-2)14-8-7-13(11-14)12-15/h13-14H,3-11H2,1-2H3
InChIKeyLPFDZEPGLNAPAL-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.58
Rot. Bonds7

About 3-(dibutylamino)cyclopentane-1-carbonitrile

3-(dibutylamino)cyclopentane-1-carbonitrile (PubChem CID 66606491) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(dibutylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(dibutylamino)cyclopentane-1-carbonitrile
PubChem CID66606491
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-(dibutylamino)cyclopentane-1-carbonitrile
SMILESCCCCN(CCCC)C1CCC(C#N)C1
InChIInChI=1S/C14H26N2/c1-3-5-9-16(10-6-4-2)14-8-7-13(11-14)12-15/h13-14H,3-11H2,1-2H3
InChIKeyLPFDZEPGLNAPAL-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131010592
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CID 18313708
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CID 18735447
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CID 18738307
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CID 19591850
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CID 24276761
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CID 45087761
CID 45087761

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(dibutylamino)cyclopentane-1-carbonitrile (CID 66606491) is 3-(dibutylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(dibutylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(dibutylamino)cyclopentane-1-carbonitrile is CCCCN(CCCC)C1CCC(C#N)C1.
What is the InChIKey of 3-(dibutylamino)cyclopentane-1-carbonitrile?
The InChIKey is LPFDZEPGLNAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-9-16(10-6-4-2)14-8-7-13(11-14)12-15/h13-14H,3-11H2,1-2H3.
What are the key properties of 3-(dibutylamino)cyclopentane-1-carbonitrile?
3-(dibutylamino)cyclopentane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 66606491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).