1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile

C11H18N2O — CID 115245088

IUPAC1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNC2CCOCC2)CCC1
InChIInChI=1S/C11H18N2O/c12-8-11(4-1-5-11)9-13-10-2-6-14-7-3-10/h10,13H,1-7,9H2
InChIKeyJHGCFIUHSJXEEX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.45
Rot. Bonds3

About 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile

1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile (PubChem CID 115245088) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
PubChem CID115245088
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNC2CCOCC2)CCC1
InChIInChI=1S/C11H18N2O/c12-8-11(4-1-5-11)9-13-10-2-6-14-7-3-10/h10,13H,1-7,9H2
InChIKeyJHGCFIUHSJXEEX-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
CID 164656544
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
N-[(1-cyclopropylcyclobutyl)methyl]oxan-4-amine
CID 115757308
1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245097
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246414
1-(oxolan-3-yloxymethyl)cyclobutane-1-carbonitrile
CID 126982214
1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
CID 115242782
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
CID 115690960
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
CID 81131365

Frequently Asked Questions

What is the IUPAC name of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile (CID 115245088) is 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile is N#CC1(CNC2CCOCC2)CCC1.
What is the InChIKey of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is JHGCFIUHSJXEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-8-11(4-1-5-11)9-13-10-2-6-14-7-3-10/h10,13H,1-7,9H2.
What are the key properties of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile?
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).