3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile

C12H22N2O — CID 115248189

IUPAC3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)CCCN(C)CC1(C#N)COC1
InChIInChI=1S/C12H22N2O/c1-11(2)5-4-6-14(3)8-12(7-13)9-15-10-12/h11H,4-6,8-10H2,1-3H3
InChIKeyUTPPTBFKNJENOT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.89
Rot. Bonds6

About 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile

3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115248189) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115248189
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile
SMILESCC(C)CCCN(C)CC1(C#N)COC1
InChIInChI=1S/C12H22N2O/c1-11(2)5-4-6-14(3)8-12(7-13)9-15-10-12/h11H,4-6,8-10H2,1-3H3
InChIKeyUTPPTBFKNJENOT-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-Methoxypropyl(methyl)amino]-2,2-dimethylpentanenitrile
CID 65257474
6-[3-Methoxypropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106710004
3-[[Methyl(propyl)amino]methyl]oxetane-3-carbonitrile
CID 115247837
3-[[Methyl(2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115247838
3-[[Methyl(3-methylbutyl)amino]methyl]oxetane-3-carbonitrile
CID 115248051
3-[[2,2-Dimethylpropyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248052
3-[[Cyclopentylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248109
3-[[Cyclohexylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248110
3-[[Methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxetane-3-carbonitrile
CID 115248115
3-[[Methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]oxetane-3-carbonitrile
CID 115248116
3-[[Cyclobutylmethyl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115248118
3-[(4-Methylpentylamino)methyl]oxetane-3-carbonitrile
CID 115248120

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile (CID 115248189) is 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile is CC(C)CCCN(C)CC1(C#N)COC1.
What is the InChIKey of 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is UTPPTBFKNJENOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)5-4-6-14(3)8-12(7-13)9-15-10-12/h11H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile?
3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 210.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(4-methylpentyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115248189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).