3-(dimethylamino)cyclopentane-1-carbonitrile

C8H14N2 — CID 45087761

IUPAC3-(dimethylamino)cyclopentane-1-carbonitrile
SMILESCN(C)C1CCC(C#N)C1
InChIInChI=1S/C8H14N2/c1-10(2)8-4-3-7(5-8)6-9/h7-8H,3-5H2,1-2H3
InChIKeyMXVDIMHHYUBHAA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds1

About 3-(dimethylamino)cyclopentane-1-carbonitrile

3-(dimethylamino)cyclopentane-1-carbonitrile (PubChem CID 45087761) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(dimethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(dimethylamino)cyclopentane-1-carbonitrile
PubChem CID45087761
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(dimethylamino)cyclopentane-1-carbonitrile
SMILESCN(C)C1CCC(C#N)C1
InChIInChI=1S/C8H14N2/c1-10(2)8-4-3-7(5-8)6-9/h7-8H,3-5H2,1-2H3
InChIKeyMXVDIMHHYUBHAA-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66606491
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CID 66606492
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CID 66606863
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CID 66607026
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CID 66607042
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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(dimethylamino)cyclopentane-1-carbonitrile (CID 45087761) is 3-(dimethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(dimethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(dimethylamino)cyclopentane-1-carbonitrile is CN(C)C1CCC(C#N)C1.
What is the InChIKey of 3-(dimethylamino)cyclopentane-1-carbonitrile?
The InChIKey is MXVDIMHHYUBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10(2)8-4-3-7(5-8)6-9/h7-8H,3-5H2,1-2H3.
What are the key properties of 3-(dimethylamino)cyclopentane-1-carbonitrile?
3-(dimethylamino)cyclopentane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 45087761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).