4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol

C26H36N2O2 — CID 175052692

IUPAC4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
SMILESNC1CCC(O)(C2(O)CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H36N2O2/c27-23-11-15-25(29,16-12-23)26(30)17-13-24(14-18-26)28(19-21-7-3-1-4-8-21)20-22-9-5-2-6-10-22/h1-10,23-24,29-30H,11-20,27H2
InChIKeyCGZMIJDNFFUCPT-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.99
Rot. Bonds6

About 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol

4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol (PubChem CID 175052692) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
PubChem CID175052692
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
SMILESNC1CCC(O)(C2(O)CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H36N2O2/c27-23-11-15-25(29,16-12-23)26(30)17-13-24(14-18-26)28(19-21-7-3-1-4-8-21)20-22-9-5-2-6-10-22/h1-10,23-24,29-30H,11-20,27H2
InChIKeyCGZMIJDNFFUCPT-UHFFFAOYSA-N
XLogP3.99
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzylcyclobutanamine
CID 70822586
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
4-(dibenzylamino)-1-methylcyclohexane-1-carboxylic acid
CID 171314831
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
CID 165107328
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
CID 129247626
ethyl 4-(dibenzylamino)-1-methylcyclohexane-1-carboxylate
CID 171314830
methyl (3S)-3-amino-1-fluorocyclopentane-1-carboxylate;methyl (3S)-3-(dibenzylamino)-1-fluorocyclopentane-1-carboxylate
CID 158114073
(1R,2S,3S)-1-N,1-N-dibenzyl-2-deuteriocyclohexane-1,3-diamine
CID 172601592
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol (CID 175052692) is 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol is NC1CCC(O)(C2(O)CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol?
The InChIKey is CGZMIJDNFFUCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c27-23-11-15-25(29,16-12-23)26(30)17-13-24(14-18-26)28(19-21-7-3-1-4-8-21)20-22-9-5-2-6-10-22/h1-10,23-24,29-30H,11-20,27H2.
What are the key properties of 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol?
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol has a molecular weight of 408.59 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 175052692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).