3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile

C15H20N2O — CID 54936607

IUPAC3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C15H20N2O/c16-10-13-5-4-6-14(9-13)11-17-12-15(18)7-2-1-3-8-15/h4-6,9,17-18H,1-3,7-8,11-12H2
InChIKeyOJGYSDLWQPCHCJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds4

About 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile

3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile (PubChem CID 54936607) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
PubChem CID54936607
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
SMILESN#Cc1cccc(CNCC2(O)CCCCC2)c1
InChIInChI=1S/C15H20N2O/c16-10-13-5-4-6-14(9-13)11-17-12-15(18)7-2-1-3-8-15/h4-6,9,17-18H,1-3,7-8,11-12H2
InChIKeyOJGYSDLWQPCHCJ-UHFFFAOYSA-N
XLogP2.34
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[[(1-hydroxycycloheptyl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 166209562
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile
CID 103743400
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
3,5-difluoro-4-[[(1-hydroxycycloheptyl)methylamino]methyl]benzonitrile
CID 107038514
3-[(2-aminoethylamino)methyl]benzonitrile
CID 60887559
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile (CID 54936607) is 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile is N#Cc1cccc(CNCC2(O)CCCCC2)c1.
What is the InChIKey of 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
The InChIKey is OJGYSDLWQPCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-10-13-5-4-6-14(9-13)11-17-12-15(18)7-2-1-3-8-15/h4-6,9,17-18H,1-3,7-8,11-12H2.
What are the key properties of 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 54936607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).