3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol

C21H41NO2 — CID 154325149

IUPAC3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CCCC1CCCCC1)CCCC1CCCCC1
InChIInChI=1S/C21H41NO2/c23-18-21(24)17-22(15-7-13-19-9-3-1-4-10-19)16-8-14-20-11-5-2-6-12-20/h19-21,23-24H,1-18H2
InChIKeyBSROQFQYMIZMCB-UHFFFAOYSA-N
MW339.56 g/mol
LogP4.36
Rot. Bonds11

About 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol

3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol (PubChem CID 154325149) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol
PubChem CID154325149
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CCCC1CCCCC1)CCCC1CCCCC1
InChIInChI=1S/C21H41NO2/c23-18-21(24)17-22(15-7-13-19-9-3-1-4-10-19)16-8-14-20-11-5-2-6-12-20/h19-21,23-24H,1-18H2
InChIKeyBSROQFQYMIZMCB-UHFFFAOYSA-N
XLogP4.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
4-cycloheptylbutan-1-ol
CID 54439965
1,5-dicyclohexylpentan-3-ol
CID 56981010
3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
CID 82850125
3-cyclobutylpropylcyclohexane
CID 54165208
11-cyclohexylundecan-1-ol
CID 18980516
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol?
The IUPAC name of 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol (CID 154325149) is 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol is OCC(O)CN(CCCC1CCCCC1)CCCC1CCCCC1.
What is the InChIKey of 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol?
The InChIKey is BSROQFQYMIZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c23-18-21(24)17-22(15-7-13-19-9-3-1-4-10-19)16-8-14-20-11-5-2-6-12-20/h19-21,23-24H,1-18H2.
What are the key properties of 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol?
3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol has a molecular weight of 339.56 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-cyclohexylpropyl)amino]propane-1,2-diol is sourced from PubChem (CID 154325149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).