3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile

C12H20N2O — CID 66321820

IUPAC3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile
SMILESN#CC(COCC1CCCC1)NC1CC1
InChIInChI=1S/C12H20N2O/c13-7-12(14-11-5-6-11)9-15-8-10-3-1-2-4-10/h10-12,14H,1-6,8-9H2
InChIKeyQUPIWRBWUKGXEF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds6

About 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile

3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile (PubChem CID 66321820) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile
PubChem CID66321820
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile
SMILESN#CC(COCC1CCCC1)NC1CC1
InChIInChI=1S/C12H20N2O/c13-7-12(14-11-5-6-11)9-15-8-10-3-1-2-4-10/h10-12,14H,1-6,8-9H2
InChIKeyQUPIWRBWUKGXEF-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile
CID 62383789
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)propanenitrile
CID 106204150
2-(cyclopropylamino)-4-(oxan-4-ylmethoxy)butanenitrile
CID 63054921
2-(cyclopentylamino)-3-hydroxypropanenitrile
CID 104711189
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163
2-(cyclopropylamino)-4-(oxan-2-ylmethoxy)butanenitrile
CID 63029177
2-(cyclopentylamino)-4-methylpentanenitrile
CID 61002564
2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile
CID 63557093
1-cyclohexyl-2-(cyclopentylmethoxy)ethanol
CID 104753739
2-(cyclohexylamino)-4,4-dimethoxybutanenitrile
CID 66269206
2-(cyclohexylamino)nonanenitrile
CID 54894188
2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
CID 103089212

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile (CID 66321820) is 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile is N#CC(COCC1CCCC1)NC1CC1.
What is the InChIKey of 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile?
The InChIKey is QUPIWRBWUKGXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-12(14-11-5-6-11)9-15-8-10-3-1-2-4-10/h10-12,14H,1-6,8-9H2.
What are the key properties of 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile?
3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile has a molecular weight of 208.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 66321820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).