3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile

C15H20N2O2 — CID 60904310

IUPAC3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
SMILESN#Cc1cccc(OCC(O)CNC2CCCC2)c1
InChIInChI=1S/C15H20N2O2/c16-9-12-4-3-7-15(8-12)19-11-14(18)10-17-13-5-1-2-6-13/h3-4,7-8,13-14,17-18H,1-2,5-6,10-11H2
InChIKeyGLFJTSRPGNFZKH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds6

About 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile

3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile (PubChem CID 60904310) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
PubChem CID60904310
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
SMILESN#Cc1cccc(OCC(O)CNC2CCCC2)c1
InChIInChI=1S/C15H20N2O2/c16-9-12-4-3-7-15(8-12)19-11-14(18)10-17-13-5-1-2-6-13/h3-4,7-8,13-14,17-18H,1-2,5-6,10-11H2
InChIKeyGLFJTSRPGNFZKH-UHFFFAOYSA-N
XLogP1.83
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(cyclopentyloxyamino)-2-hydroxypropoxy]benzonitrile
CID 83229717
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
3-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)amino]propoxy]benzonitrile
CID 61462137
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
3-[2-hydroxy-3-(oxan-4-ylmethylamino)propoxy]benzonitrile
CID 63711326
3-(2-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
3-[2-hydroxy-3-[(3-hydroxycyclopentyl)methylamino]propoxy]benzonitrile
CID 106129921
3-[2-hydroxy-3-(pyrrol-1-ylamino)propoxy]benzonitrile
CID 79100947
3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-hydroxypropoxy]benzonitrile
CID 115559886
3-[2-hydroxy-3-(2-pyrrolidin-1-ylethylamino)propoxy]benzonitrile
CID 62640687
3-[3-(2,2-dimethylpropylamino)-2-hydroxypropoxy]benzonitrile
CID 61166644

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile (CID 60904310) is 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile is N#Cc1cccc(OCC(O)CNC2CCCC2)c1.
What is the InChIKey of 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
The InChIKey is GLFJTSRPGNFZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-9-12-4-3-7-15(8-12)19-11-14(18)10-17-13-5-1-2-6-13/h3-4,7-8,13-14,17-18H,1-2,5-6,10-11H2.
What are the key properties of 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 60904310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).