1-(1-aminoethyl)cyclobutane-1-carbonitrile

C7H12N2 — CID 116943634

IUPAC1-(1-aminoethyl)cyclobutane-1-carbonitrile
SMILESCC(N)C1(C#N)CCC1
InChIInChI=1S/C7H12N2/c1-6(9)7(5-8)3-2-4-7/h6H,2-4,9H2,1H3
InChIKeyVEWLHYDSZHRTOL-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.03
Rot. Bonds1

About 1-(1-aminoethyl)cyclobutane-1-carbonitrile

1-(1-aminoethyl)cyclobutane-1-carbonitrile (PubChem CID 116943634) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(1-aminoethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-aminoethyl)cyclobutane-1-carbonitrile
PubChem CID116943634
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(1-aminoethyl)cyclobutane-1-carbonitrile
SMILESCC(N)C1(C#N)CCC1
InChIInChI=1S/C7H12N2/c1-6(9)7(5-8)3-2-4-7/h6H,2-4,9H2,1H3
InChIKeyVEWLHYDSZHRTOL-UHFFFAOYSA-N
XLogP1.03
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-aminoethyl)cyclobutane-1-carbonitrile (CID 116943634) is 1-(1-aminoethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-aminoethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-aminoethyl)cyclobutane-1-carbonitrile is CC(N)C1(C#N)CCC1.
What is the InChIKey of 1-(1-aminoethyl)cyclobutane-1-carbonitrile?
The InChIKey is VEWLHYDSZHRTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(9)7(5-8)3-2-4-7/h6H,2-4,9H2,1H3.
What are the key properties of 1-(1-aminoethyl)cyclobutane-1-carbonitrile?
1-(1-aminoethyl)cyclobutane-1-carbonitrile has a molecular weight of 124.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116943634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).