1-(pentylamino)cyclopentane-1-carbonitrile

C11H20N2 — CID 28702720

IUPAC1-(pentylamino)cyclopentane-1-carbonitrile
SMILESCCCCCNC1(C#N)CCCC1
InChIInChI=1S/C11H20N2/c1-2-3-6-9-13-11(10-12)7-4-5-8-11/h13H,2-9H2,1H3
InChIKeyPEQOTCOGFPTTKG-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.60
Rot. Bonds5

About 1-(pentylamino)cyclopentane-1-carbonitrile

1-(pentylamino)cyclopentane-1-carbonitrile (PubChem CID 28702720) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(pentylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(pentylamino)cyclopentane-1-carbonitrile
PubChem CID28702720
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(pentylamino)cyclopentane-1-carbonitrile
SMILESCCCCCNC1(C#N)CCCC1
InChIInChI=1S/C11H20N2/c1-2-3-6-9-13-11(10-12)7-4-5-8-11/h13H,2-9H2,1H3
InChIKeyPEQOTCOGFPTTKG-UHFFFAOYSA-N
XLogP2.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(pentylamino)cyclopentane-1-carbonitrile (CID 28702720) is 1-(pentylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(pentylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(pentylamino)cyclopentane-1-carbonitrile is CCCCCNC1(C#N)CCCC1.
What is the InChIKey of 1-(pentylamino)cyclopentane-1-carbonitrile?
The InChIKey is PEQOTCOGFPTTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-6-9-13-11(10-12)7-4-5-8-11/h13H,2-9H2,1H3.
What are the key properties of 1-(pentylamino)cyclopentane-1-carbonitrile?
1-(pentylamino)cyclopentane-1-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 28702720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).