4-(cyclopentylideneamino)-2-ethylbutanenitrile

C11H18N2 — CID 122461141

IUPAC4-(cyclopentylideneamino)-2-ethylbutanenitrile
SMILESCCC(C#N)CCN=C1CCCC1
InChIInChI=1S/C11H18N2/c1-2-10(9-12)7-8-13-11-5-3-4-6-11/h10H,2-8H2,1H3
InChIKeyFTBCUOKQCDIKMT-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds4

About 4-(cyclopentylideneamino)-2-ethylbutanenitrile

4-(cyclopentylideneamino)-2-ethylbutanenitrile (PubChem CID 122461141) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(cyclopentylideneamino)-2-ethylbutanenitrile.

Molecular Properties

Compound Name4-(cyclopentylideneamino)-2-ethylbutanenitrile
PubChem CID122461141
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(cyclopentylideneamino)-2-ethylbutanenitrile
SMILESCCC(C#N)CCN=C1CCCC1
InChIInChI=1S/C11H18N2/c1-2-10(9-12)7-8-13-11-5-3-4-6-11/h10H,2-8H2,1H3
InChIKeyFTBCUOKQCDIKMT-UHFFFAOYSA-N
XLogP2.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylideneamino)-2-ethylbutanenitrile?
The IUPAC name of 4-(cyclopentylideneamino)-2-ethylbutanenitrile (CID 122461141) is 4-(cyclopentylideneamino)-2-ethylbutanenitrile.
What is the SMILES notation for 4-(cyclopentylideneamino)-2-ethylbutanenitrile?
The canonical SMILES for 4-(cyclopentylideneamino)-2-ethylbutanenitrile is CCC(C#N)CCN=C1CCCC1.
What is the InChIKey of 4-(cyclopentylideneamino)-2-ethylbutanenitrile?
The InChIKey is FTBCUOKQCDIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-10(9-12)7-8-13-11-5-3-4-6-11/h10H,2-8H2,1H3.
What are the key properties of 4-(cyclopentylideneamino)-2-ethylbutanenitrile?
4-(cyclopentylideneamino)-2-ethylbutanenitrile has a molecular weight of 178.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylideneamino)-2-ethylbutanenitrile is sourced from PubChem (CID 122461141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).