1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile

C11H18N2O — CID 115242179

IUPAC1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CC1(C#N)CC1)C1CCOCC1
InChIInChI=1S/C11H18N2O/c1-13(9-11(8-12)4-5-11)10-2-6-14-7-3-10/h10H,2-7,9H2,1H3
InChIKeyWKSQLGPCQCAPMJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds3

About 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242179) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242179
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CC1(C#N)CC1)C1CCOCC1
InChIInChI=1S/C11H18N2O/c1-13(9-11(8-12)4-5-11)10-2-6-14-7-3-10/h10H,2-7,9H2,1H3
InChIKeyWKSQLGPCQCAPMJ-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine-2-carbonitrile
CID 170926205
3-[Methyl(oxan-4-yl)amino]propanenitrile
CID 43611148
4-[Methyl(oxan-4-yl)amino]butanenitrile
CID 43611150
2-Methyl-3-[methyl(oxan-4-yl)amino]propanenitrile
CID 43611170
3-[Methyl(oxan-4-yl)amino]pentanenitrile
CID 43611172
4-(Diethylamino)oxane-4-carbonitrile
CID 43802728
3-[Methyl(oxan-4-ylmethyl)amino]pentanenitrile
CID 55247926
3-[Methyl(oxan-4-yl)amino]butanenitrile
CID 60914319
5-[Methyl(oxan-4-yl)amino]pentanenitrile
CID 61521525
2-[Methyl(oxan-4-yl)amino]propanenitrile
CID 61696071
2-[Methyl(oxan-4-yl)amino]butanenitrile
CID 61699965
2-(Cyclopropylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]butanenitrile
CID 61896239

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242179) is 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile is CN(CC1(C#N)CC1)C1CCOCC1.
What is the InChIKey of 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is WKSQLGPCQCAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(9-11(8-12)4-5-11)10-2-6-14-7-3-10/h10H,2-7,9H2,1H3.
What are the key properties of 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).