3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride

C6H11ClN2 — CID 139562380

IUPAC3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
SMILESCC1(C#N)CC(N)C1.Cl
InChIInChI=1S/C6H10N2.ClH/c1-6(4-7)2-5(8)3-6;/h5H,2-3,8H2,1H3;1H
InChIKeySLPJKRVDKFRMQV-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.06
Rot. Bonds

About 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride

3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride (PubChem CID 139562380) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
PubChem CID139562380
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
SMILESCC1(C#N)CC(N)C1.Cl
InChIInChI=1S/C6H10N2.ClH/c1-6(4-7)2-5(8)3-6;/h5H,2-3,8H2,1H3;1H
InChIKeySLPJKRVDKFRMQV-UHFFFAOYSA-N
XLogP1.06
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride?
The IUPAC name of 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride (CID 139562380) is 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride?
The canonical SMILES for 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride is CC1(C#N)CC(N)C1.Cl.
What is the InChIKey of 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride?
The InChIKey is SLPJKRVDKFRMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c1-6(4-7)2-5(8)3-6;/h5H,2-3,8H2,1H3;1H.
What are the key properties of 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride?
3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 139562380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).