1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile

C17H24N2 — CID 115245245

IUPAC1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
SMILESCCC(C)c1ccc(CNCC2(C#N)CCC2)cc1
InChIInChI=1S/C17H24N2/c1-3-14(2)16-7-5-15(6-8-16)11-19-13-17(12-18)9-4-10-17/h5-8,14,19H,3-4,9-11,13H2,1-2H3
InChIKeyGEEBNCZAVHVRTJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.98
Rot. Bonds6

About 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile

1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245245) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245245
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
SMILESCCC(C)c1ccc(CNCC2(C#N)CCC2)cc1
InChIInChI=1S/C17H24N2/c1-3-14(2)16-7-5-15(6-8-16)11-19-13-17(12-18)9-4-10-17/h5-8,14,19H,3-4,9-11,13H2,1-2H3
InChIKeyGEEBNCZAVHVRTJ-UHFFFAOYSA-N
XLogP3.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-butan-2-ylphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254458
N'-[(4-butan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 115195281
N-[(4-butan-2-ylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202535
N'-[(4-butan-2-ylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203171
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
2-(4-butan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841976
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245288
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242451
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245250
1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963591
1-[(3,4-dihydro-2H-thiochromen-6-ylmethylamino)methyl]cyclopropane-1-carbonitrile
CID 115242294

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile (CID 115245245) is 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile is CCC(C)c1ccc(CNCC2(C#N)CCC2)cc1.
What is the InChIKey of 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is GEEBNCZAVHVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-14(2)16-7-5-15(6-8-16)11-19-13-17(12-18)9-4-10-17/h5-8,14,19H,3-4,9-11,13H2,1-2H3.
What are the key properties of 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile?
1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).