1-(aminomethyl)cyclobutane-1-carbonitrile

C6H10N2 — CID 82502370

IUPAC1-(aminomethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CN)CCC1
InChIInChI=1S/C6H10N2/c7-4-6(5-8)2-1-3-6/h1-4,7H2
InChIKeyUEBWHAAQVVWZAU-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.64
Rot. Bonds1

About 1-(aminomethyl)cyclobutane-1-carbonitrile

1-(aminomethyl)cyclobutane-1-carbonitrile (PubChem CID 82502370) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-(aminomethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(aminomethyl)cyclobutane-1-carbonitrile
PubChem CID82502370
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-(aminomethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CN)CCC1
InChIInChI=1S/C6H10N2/c7-4-6(5-8)2-1-3-6/h1-4,7H2
InChIKeyUEBWHAAQVVWZAU-UHFFFAOYSA-N
XLogP0.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(aminomethyl)cyclobutane-1-carbonitrile (CID 82502370) is 1-(aminomethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(aminomethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(aminomethyl)cyclobutane-1-carbonitrile is N#CC1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)cyclobutane-1-carbonitrile?
The InChIKey is UEBWHAAQVVWZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-4-6(5-8)2-1-3-6/h1-4,7H2.
What are the key properties of 1-(aminomethyl)cyclobutane-1-carbonitrile?
1-(aminomethyl)cyclobutane-1-carbonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 82502370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).