2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile

C10H18N2O — CID 62741123

IUPAC2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCO
InChIInChI=1S/C10H18N2O/c11-8-9-4-2-1-3-5-10(9)12-6-7-13/h9-10,12-13H,1-7H2
InChIKeyKAUYOAKXHRVJNW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.04
Rot. Bonds3

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

2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile (PubChem CID 62741123) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
PubChem CID62741123
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCO
InChIInChI=1S/C10H18N2O/c11-8-9-4-2-1-3-5-10(9)12-6-7-13/h9-10,12-13H,1-7H2
InChIKeyKAUYOAKXHRVJNW-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-[2-(3-hydroxypropylsulfanyl)ethylamino]cycloheptane-1-carbonitrile
CID 114171871
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
CID 79393765
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile
CID 62741850
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile (CID 62741123) is 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile?
The InChIKey is KAUYOAKXHRVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-8-9-4-2-1-3-5-10(9)12-6-7-13/h9-10,12-13H,1-7H2.
What are the key properties of 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile?
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 62741123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).