6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol

C36H68N2O2 — CID 158863478

IUPAC6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol
SMILESO=CCCCCCN(C1CCCCC1)C1CCCCC1.OCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35NO.C18H33NO/c2*20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h17-18,20H,1-16H2;16-18H,1-15H2
InChIKeyJAXYRURKOGAVGU-UHFFFAOYSA-N
MW560.95 g/mol
LogP9.22
Rot. Bonds16

About 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol

6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol (PubChem CID 158863478) has the molecular formula C36H68N2O2 and a molecular weight of 560.95 g/mol. Its IUPAC name is 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol
PubChem CID158863478
Molecular FormulaC36H68N2O2
Molecular Weight560.95 g/mol
Exact Mass560.53
IUPAC Name6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol
SMILESO=CCCCCCN(C1CCCCC1)C1CCCCC1.OCCCCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35NO.C18H33NO/c2*20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h17-18,20H,1-16H2;16-18H,1-15H2
InChIKeyJAXYRURKOGAVGU-UHFFFAOYSA-N
XLogP9.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.95
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694
17-hydroxyheptadecanal
CID 134210784
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
3-[cyclobutyl(3-hydroxypropyl)amino]propanal
CID 102864313
N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579650
cyclohexanol;cyclohexene;hydron;5-hydroxypentanal;hydrate
CID 158679177
3-(dicyclopropylamino)propan-1-ol
CID 146482071
N-(6-chlorohexyl)-N-cyclohexylcyclohexanamine
CID 63446738
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011

Frequently Asked Questions

What is the IUPAC name of 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol?
The IUPAC name of 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol (CID 158863478) is 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol.
What is the SMILES notation for 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol?
The canonical SMILES for 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol is O=CCCCCCN(C1CCCCC1)C1CCCCC1.OCCCCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol?
The InChIKey is JAXYRURKOGAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO.C18H33NO/c2*20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h17-18,20H,1-16H2;16-18H,1-15H2.
What are the key properties of 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol?
6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol has a molecular weight of 560.95 g/mol, XLogP of 9.22, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol is sourced from PubChem (CID 158863478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).