2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile

C10H16N2 — CID 12546742

IUPAC2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)=C1CCCC1
InChIInChI=1S/C10H16N2/c1-8(2)12-10(7-11)9-5-3-4-6-9/h8,12H,3-6H2,1-2H3
InChIKeyYKXGKCKEBWPIRW-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.34
Rot. Bonds2

About 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile

2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile (PubChem CID 12546742) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile
PubChem CID12546742
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)=C1CCCC1
InChIInChI=1S/C10H16N2/c1-8(2)12-10(7-11)9-5-3-4-6-9/h8,12H,3-6H2,1-2H3
InChIKeyYKXGKCKEBWPIRW-UHFFFAOYSA-N
XLogP2.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile (CID 12546742) is 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile is CC(C)NC(C#N)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile?
The InChIKey is YKXGKCKEBWPIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)12-10(7-11)9-5-3-4-6-9/h8,12H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile?
2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile has a molecular weight of 164.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 12546742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).