2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile

C16H22N2O — CID 62115637

IUPAC2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N(CCO)Cc1ccccc1
InChIInChI=1S/C16H22N2O/c17-12-15-8-4-5-9-16(15)18(10-11-19)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-11,13H2
InChIKeyQFYMWOJOJYGRLV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.56
Rot. Bonds5

About 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile

2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 62115637) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
PubChem CID62115637
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N(CCO)Cc1ccccc1
InChIInChI=1S/C16H22N2O/c17-12-15-8-4-5-9-16(15)18(10-11-19)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-11,13H2
InChIKeyQFYMWOJOJYGRLV-UHFFFAOYSA-N
XLogP2.56
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclopentyl)-benzylamino]ethanol
CID 62114262
2-[benzyl-[(1R,2R)-2-trityloxycyclopentyl]amino]ethanol
CID 102055377
(3R,4S)-4-[benzyl(2-hydroxyethyl)amino]-1,1-dioxothiolan-3-ol
CID 129367138
2-[benzyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291873
2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile
CID 102862438
2-benzylsulfanylcyclohexane-1-carbonitrile
CID 43292997
4-[benzyl(2-hydroxyethyl)amino]azepan-2-one
CID 63888503
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
CID 61412971
(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol
CID 71500771
N,N-dibenzylcyclobutanamine
CID 70822586
2-[benzyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
CID 115938376

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile (CID 62115637) is 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile is N#CC1CCCCC1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is QFYMWOJOJYGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-12-15-8-4-5-9-16(15)18(10-11-19)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-11,13H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile?
2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 258.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62115637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).