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

C8H15ClN2 — CID 167742400

IUPAC1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride
SMILESCC1(C)CC(C#N)(CN)C1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-7(2)3-8(4-7,5-9)6-10;/h3-5,9H2,1-2H3;1H
InChIKeyCWWZGAUMPDMPDG-UHFFFAOYSA-N
MW174.67 g/mol
LogP1.70
Rot. Bonds1

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

1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride (PubChem CID 167742400) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride
PubChem CID167742400
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride
SMILESCC1(C)CC(C#N)(CN)C1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-7(2)3-8(4-7,5-9)6-10;/h3-5,9H2,1-2H3;1H
InChIKeyCWWZGAUMPDMPDG-UHFFFAOYSA-N
XLogP1.70
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.70
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-[(Methylamino)methyl]cyclobutane-1-carbonitrilehydrochloride
CID 165747050
3-Amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
CID 139562380
1-(Aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
CID 121207974
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
2-[1-(Aminomethyl)cyclobutyl]acetonitrile
CID 131345234

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride (CID 167742400) is 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride is CC1(C)CC(C#N)(CN)C1.Cl.
What is the InChIKey of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride?
The InChIKey is CWWZGAUMPDMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-7(2)3-8(4-7,5-9)6-10;/h3-5,9H2,1-2H3;1H.
What are the key properties of 1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride?
1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile;hydrochloride has a molecular weight of 174.67 g/mol, XLogP of 1.70, 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;hydrochloride is sourced from PubChem (CID 167742400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).