1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile

C8H14N2 — CID 121207974

IUPAC1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
SMILESCC1(C)CC(C#N)(CN)C1
InChIInChI=1S/C8H14N2/c1-7(2)3-8(4-7,5-9)6-10/h3-5,9H2,1-2H3
InChIKeyOITIWHCOLGQTAF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.28
Rot. Bonds1

About 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile

1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile (PubChem CID 121207974) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
PubChem CID121207974
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
SMILESCC1(C)CC(C#N)(CN)C1
InChIInChI=1S/C8H14N2/c1-7(2)3-8(4-7,5-9)6-10/h3-5,9H2,1-2H3
InChIKeyOITIWHCOLGQTAF-UHFFFAOYSA-N
XLogP1.28
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-4,4-dimethylpentanenitrile
CID 20774360
1-(Aminomethyl)cyclobutanecarbonitrile
CID 82502370
1-(Aminomethyl)cyclobutane-1-carbonitrile hydrochloride
CID 90645633
1-(Aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile hydrochloride
CID 167742400
6-Amino-2,2-dimethylhexanenitrile
CID 106708914
3-(Aminomethyl)-3-fluoro-1-methyl-cyclobutanecarbonitrile
CID 171036111
3-(Aminomethyl)-3-methylcyclobutane-1-carbonitrile;hydrochloride
CID 177801477
2-(Aminomethyl)-2-methylhexanenitrile
CID 53679297
5-Amino-2,2-dimethylpentanenitrile
CID 65256306
2-Amino-1-methylcyclobutane-1-carbonitrile
CID 67732140
1-[(Methylamino)methyl]cyclobutanecarbonitrile
CID 117571629
2-[1-(Aminomethyl)cyclobutyl]acetonitrile
CID 131345234

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile (CID 121207974) is 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile is CC1(C)CC(C#N)(CN)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile?
The InChIKey is OITIWHCOLGQTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)3-8(4-7,5-9)6-10/h3-5,9H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile?
1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile is sourced from PubChem (CID 121207974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).