4-(benzylamino)cyclohexan-1-ol

C13H19NO — CID 11117199

IUPAC4-(benzylamino)cyclohexan-1-ol
SMILESOC1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C13H19NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeyQPRIOPMWGXBPOQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.08
Rot. Bonds3

About 4-(benzylamino)cyclohexan-1-ol

4-(benzylamino)cyclohexan-1-ol (PubChem CID 11117199) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(benzylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(benzylamino)cyclohexan-1-ol
PubChem CID11117199
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(benzylamino)cyclohexan-1-ol
SMILESOC1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C13H19NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2
InChIKeyQPRIOPMWGXBPOQ-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)cyclohexan-1-ol?
The IUPAC name of 4-(benzylamino)cyclohexan-1-ol (CID 11117199) is 4-(benzylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(benzylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(benzylamino)cyclohexan-1-ol is OC1CCC(NCc2ccccc2)CC1.
What is the InChIKey of 4-(benzylamino)cyclohexan-1-ol?
The InChIKey is QPRIOPMWGXBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2.
What are the key properties of 4-(benzylamino)cyclohexan-1-ol?
4-(benzylamino)cyclohexan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)cyclohexan-1-ol is sourced from PubChem (CID 11117199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).