2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile

C11H20N2O — CID 62741297

IUPAC2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
SMILESCC(O)CNC1CCCCCC1C#N
InChIInChI=1S/C11H20N2O/c1-9(14)8-13-11-6-4-2-3-5-10(11)7-12/h9-11,13-14H,2-6,8H2,1H3
InChIKeyXSOVNXPPOJDTGM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.43
Rot. Bonds3

About 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile

2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile (PubChem CID 62741297) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
PubChem CID62741297
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
SMILESCC(O)CNC1CCCCCC1C#N
InChIInChI=1S/C11H20N2O/c1-9(14)8-13-11-6-4-2-3-5-10(11)7-12/h9-11,13-14H,2-6,8H2,1H3
InChIKeyXSOVNXPPOJDTGM-UHFFFAOYSA-N
XLogP1.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-2-propan-2-ylbutyl)amino]cycloheptane-1-carbonitrile
CID 102905558
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
CID 106285223
2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
CID 114133401
2-(2-phenylpropylamino)cycloheptane-1-carbonitrile
CID 104591468
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
CID 62743028
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile (CID 62741297) is 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile is CC(O)CNC1CCCCCC1C#N.
What is the InChIKey of 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile?
The InChIKey is XSOVNXPPOJDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(14)8-13-11-6-4-2-3-5-10(11)7-12/h9-11,13-14H,2-6,8H2,1H3.
What are the key properties of 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile?
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 62741297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).