4-cyclopentyloxy-2-(methylamino)butanenitrile

C10H18N2O — CID 63030165

IUPAC4-cyclopentyloxy-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCOC1CCCC1
InChIInChI=1S/C10H18N2O/c1-12-9(8-11)6-7-13-10-4-2-3-5-10/h9-10,12H,2-7H2,1H3
InChIKeyCTXPKEIJBPMWKU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds5

About 4-cyclopentyloxy-2-(methylamino)butanenitrile

4-cyclopentyloxy-2-(methylamino)butanenitrile (PubChem CID 63030165) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-cyclopentyloxy-2-(methylamino)butanenitrile
PubChem CID63030165
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-cyclopentyloxy-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCOC1CCCC1
InChIInChI=1S/C10H18N2O/c1-12-9(8-11)6-7-13-10-4-2-3-5-10/h9-10,12H,2-7H2,1H3
InChIKeyCTXPKEIJBPMWKU-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163
4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanenitrile
CID 114341989
4-(oxan-4-yloxy)-2-(propan-2-ylamino)butanenitrile
CID 63055085
2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
CID 63027618
4-(4-ethoxypiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63027329
6-cyclohexyloxy-N-methylhexan-3-amine
CID 106800628
4-(dicyclohexylamino)-2-(methylamino)butanenitrile
CID 63027303
5-methyl-2-(methylamino)hexanenitrile
CID 131187113
6-methylheptoxycyclohexane
CID 66984925
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methylamino)butanenitrile
CID 82750370
N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide
CID 95292379

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-(methylamino)butanenitrile?
The IUPAC name of 4-cyclopentyloxy-2-(methylamino)butanenitrile (CID 63030165) is 4-cyclopentyloxy-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-cyclopentyloxy-2-(methylamino)butanenitrile?
The canonical SMILES for 4-cyclopentyloxy-2-(methylamino)butanenitrile is CNC(C#N)CCOC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-2-(methylamino)butanenitrile?
The InChIKey is CTXPKEIJBPMWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-9(8-11)6-7-13-10-4-2-3-5-10/h9-10,12H,2-7H2,1H3.
What are the key properties of 4-cyclopentyloxy-2-(methylamino)butanenitrile?
4-cyclopentyloxy-2-(methylamino)butanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-(methylamino)butanenitrile is sourced from PubChem (CID 63030165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).