3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile

C10H18N2 — CID 103563267

IUPAC3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
SMILESCC(C)CNC1(C#N)CC(C)C1
InChIInChI=1S/C10H18N2/c1-8(2)6-12-10(7-11)4-9(3)5-10/h8-9,12H,4-6H2,1-3H3
InChIKeyTVSFMAPLNBHVRG-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.92
Rot. Bonds3

About 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile

3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile (PubChem CID 103563267) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
PubChem CID103563267
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
SMILESCC(C)CNC1(C#N)CC(C)C1
InChIInChI=1S/C10H18N2/c1-8(2)6-12-10(7-11)4-9(3)5-10/h8-9,12H,4-6H2,1-3H3
InChIKeyTVSFMAPLNBHVRG-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile
CID 64750710
3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 106822413
1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
CID 62976756
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-methyl-1-(2-methylpropylsulfanyl)cyclobutane-1-carbonitrile
CID 65138446
N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
CID 140933832
3-propan-2-yl-1-(prop-2-enylamino)cyclobutane-1-carbonitrile
CID 103563357
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
CID 63467066
4-(2-methylpropylamino)-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 61006040

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile (CID 103563267) is 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile is CC(C)CNC1(C#N)CC(C)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
The InChIKey is TVSFMAPLNBHVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)6-12-10(7-11)4-9(3)5-10/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile?
3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 103563267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).