3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile

C11H18N2O2 — CID 106822418

IUPAC3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
SMILESCOC1CC(C#N)(NCC2CCCO2)C1
InChIInChI=1S/C11H18N2O2/c1-14-10-5-11(6-10,8-12)13-7-9-3-2-4-15-9/h9-10,13H,2-7H2,1H3
InChIKeyGJRMJOSCENWISD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.83
Rot. Bonds4

About 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile

3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile (PubChem CID 106822418) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
PubChem CID106822418
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
SMILESCOC1CC(C#N)(NCC2CCCO2)C1
InChIInChI=1S/C11H18N2O2/c1-14-10-5-11(6-10,8-12)13-7-9-3-2-4-15-9/h9-10,13H,2-7H2,1H3
InChIKeyGJRMJOSCENWISD-UHFFFAOYSA-N
XLogP0.83
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 112682397
2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 81321315
N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
5-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54887564
2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
CID 65045063
1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 79638341
1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
1-(ethylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carbonitrile
CID 106495474
3,3-dimethoxy-2-methyl-2-(oxolan-2-ylmethylamino)propanenitrile
CID 66168021

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile (CID 106822418) is 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile is COC1CC(C#N)(NCC2CCCO2)C1.
What is the InChIKey of 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile?
The InChIKey is GJRMJOSCENWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-10-5-11(6-10,8-12)13-7-9-3-2-4-15-9/h9-10,13H,2-7H2,1H3.
What are the key properties of 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile?
3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 106822418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).