1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride

C9H17ClN2 — CID 176923220

IUPAC1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride
SMILESCC(C)NC1CC(C)(C#N)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-7(2)11-8-4-9(3,5-8)6-10;/h7-8,11H,4-5H2,1-3H3;1H
InChIKeyZSWHKWGUVVZYAH-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.10
Rot. Bonds2

About 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride

1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride (PubChem CID 176923220) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride
PubChem CID176923220
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride
SMILESCC(C)NC1CC(C)(C#N)C1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-7(2)11-8-4-9(3,5-8)6-10;/h7-8,11H,4-5H2,1-3H3;1H
InChIKeyZSWHKWGUVVZYAH-UHFFFAOYSA-N
XLogP2.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904200
3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
CID 139562380
cis-(3S,5R)-1,3,5-trimethylcyclohexane-1-carbonitrile
CID 59970295
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
5-chloro-3,3-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 164649735
3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile
CID 139409211
N-propan-2-ylcycloheptanamine
CID 42562651
3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
CID 144865539
N-but-3-yn-2-yl-3,3-dimethylcyclobutan-1-amine
CID 130708258
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 103563238
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
N-propan-2-yloxetan-3-amine
CID 53393300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride (CID 176923220) is 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride is CC(C)NC1CC(C)(C#N)C1.Cl.
What is the InChIKey of 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride?
The InChIKey is ZSWHKWGUVVZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-7(2)11-8-4-9(3,5-8)6-10;/h7-8,11H,4-5H2,1-3H3;1H.
What are the key properties of 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride?
1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 176923220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).