2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile

C10H16N2O2 — CID 63557093

IUPAC2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile
SMILESN#CC(COC1CCOC1)NC1CC1
InChIInChI=1S/C10H16N2O2/c11-5-9(12-8-1-2-8)6-14-10-3-4-13-7-10/h8-10,12H,1-4,6-7H2
InChIKeyXGTFWDPIFPOQFF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.44
Rot. Bonds5

About 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile

2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile (PubChem CID 63557093) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile
PubChem CID63557093
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile
SMILESN#CC(COC1CCOC1)NC1CC1
InChIInChI=1S/C10H16N2O2/c11-5-9(12-8-1-2-8)6-14-10-3-4-13-7-10/h8-10,12H,1-4,6-7H2
InChIKeyXGTFWDPIFPOQFF-UHFFFAOYSA-N
XLogP0.44
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(oxolan-3-yloxy)propanenitrile
CID 63556703
2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile
CID 62383789
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
2-(cyclopropylamino)-4-(oxan-4-ylmethoxy)butanenitrile
CID 63054921
(2S)-2-amino-3-(oxan-4-yloxy)propanenitrile
CID 94047569
3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile
CID 66321820
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
ethane;3-ethoxyoxolane
CID 142523367
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519
1-(oxolan-3-yloxymethyl)cyclobutane-1-carbonitrile
CID 126982214
N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
CID 63558838

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile (CID 63557093) is 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile is N#CC(COC1CCOC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile?
The InChIKey is XGTFWDPIFPOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-5-9(12-8-1-2-8)6-14-10-3-4-13-7-10/h8-10,12H,1-4,6-7H2.
What are the key properties of 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile?
2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile has a molecular weight of 196.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile is sourced from PubChem (CID 63557093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).