(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol

C21H27NO — CID 70981620

IUPAC(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H27NO/c23-21-13-7-12-20(14-21)17-22(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2/t20-,21?/m1/s1
InChIKeyAUEGLEHYZDBALC-VQCQRNETSA-N
MW309.45 g/mol
LogP4.24
Rot. Bonds6

About (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol

(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol (PubChem CID 70981620) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
PubChem CID70981620
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H27NO/c23-21-13-7-12-20(14-21)17-22(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2/t20-,21?/m1/s1
InChIKeyAUEGLEHYZDBALC-VQCQRNETSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dibenzylamino)methyl]cyclohexan-1-amine
CID 18447128
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
tert-butyl 3-[(dibenzylamino)methyl]-5-hydroxypiperidine-1-carboxylate
CID 167717614
6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 56819791
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549
N,N-dibenzyl-1-[(1R)-2,2-dibromocyclopropyl]methanamine
CID 10938445
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol?
The IUPAC name of (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol (CID 70981620) is (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol is OC1CCC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol?
The InChIKey is AUEGLEHYZDBALC-VQCQRNETSA-N. The full InChI is InChI=1S/C21H27NO/c23-21-13-7-12-20(14-21)17-22(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2/t20-,21?/m1/s1.
What are the key properties of (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol?
(3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dibenzylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 70981620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).