cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium

C15H32N2O+2 — CID 3441735

IUPACcyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium
SMILESOC(C[NH2+]C1CCCCC1)C[NH2+]C1CCCCC1
InChIInChI=1S/C15H30N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h13-18H,1-12H2/p+2
InChIKeyZOZIYWBBWFUQHH-UHFFFAOYSA-P
MW256.43 g/mol
LogP0.14
Rot. Bonds6

About cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium

cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium (PubChem CID 3441735) has the molecular formula C15H32N2O+2 and a molecular weight of 256.43 g/mol. Its IUPAC name is cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium
PubChem CID3441735
Molecular FormulaC15H32N2O+2
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Namecyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium
SMILESOC(C[NH2+]C1CCCCC1)C[NH2+]C1CCCCC1
InChIInChI=1S/C15H30N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h13-18H,1-12H2/p+2
InChIKeyZOZIYWBBWFUQHH-UHFFFAOYSA-P
XLogP0.14
TPSA53.45 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium 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

cyclohexyl-[(2S)-3-[(2S)-3-(cyclohexylazaniumyl)-2-hydroxypropyl]sulfanyl-2-hydroxypropyl]azanium
CID 7446211
cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium
CID 8741573
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
cyclohexyl(ethyl)azanium
CID 22015889
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
CID 2142734
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-(cyclopentylazaniumyl)acetate
CID 36691364
1,5-dicyclohexylpentan-3-ol
CID 56981010
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium?
The IUPAC name of cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium (CID 3441735) is cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium.
What is the SMILES notation for cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium?
The canonical SMILES for cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium is OC(C[NH2+]C1CCCCC1)C[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium?
The InChIKey is ZOZIYWBBWFUQHH-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H30N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h13-18H,1-12H2/p+2.
What are the key properties of cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium?
cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium has a molecular weight of 256.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium is sourced from PubChem (CID 3441735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).