1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile

C15H24N2O2 — CID 79638341

IUPAC1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(OCC2CCCCO2)C1
InChIInChI=1S/C15H24N2O2/c16-11-15(17-12-4-5-12)7-6-13(9-15)19-10-14-3-1-2-8-18-14/h12-14,17H,1-10H2
InChIKeyBONPYFNENVAJMX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds5

About 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile (PubChem CID 79638341) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
PubChem CID79638341
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(OCC2CCCCO2)C1
InChIInChI=1S/C15H24N2O2/c16-11-15(17-12-4-5-12)7-6-13(9-15)19-10-14-3-1-2-8-18-14/h12-14,17H,1-10H2
InChIKeyBONPYFNENVAJMX-UHFFFAOYSA-N
XLogP2.14
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
CID 106822418
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
2-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile
CID 43292537
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
oxan-2-ylmethyl 1-cyanocyclohexane-1-carboxylate
CID 60584395
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
3-(oxan-2-ylmethoxy)cyclohexan-1-one
CID 79618470
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
2-(cyclopropylamino)-4-(oxan-2-ylmethoxy)butanenitrile
CID 63029177
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 112588934

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile (CID 79638341) is 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCC(OCC2CCCCO2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
The InChIKey is BONPYFNENVAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-11-15(17-12-4-5-12)7-6-13(9-15)19-10-14-3-1-2-8-18-14/h12-14,17H,1-10H2.
What are the key properties of 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile has a molecular weight of 264.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(oxan-2-ylmethoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).