2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol

C21H44N2O3 — CID 138617266

IUPAC2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol
SMILESCC(C)N(CCO)C(C)C.CN(C1CCCCC1O)C1CCCCC1O
InChIInChI=1S/C13H25NO2.C8H19NO/c1-14(10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)16;1-7(2)9(5-6-10)8(3)4/h10-13,15-16H,2-9H2,1H3;7-8,10H,5-6H2,1-4H3
InChIKeyJXLALLHCZSDYDG-UHFFFAOYSA-N
MW372.59 g/mol
LogP2.62
Rot. Bonds6

About 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol

2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol (PubChem CID 138617266) has the molecular formula C21H44N2O3 and a molecular weight of 372.59 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol
PubChem CID138617266
Molecular FormulaC21H44N2O3
Molecular Weight372.59 g/mol
Exact Mass372.34
IUPAC Name2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol
SMILESCC(C)N(CCO)C(C)C.CN(C1CCCCC1O)C1CCCCC1O
InChIInChI=1S/C13H25NO2.C8H19NO/c1-14(10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)16;1-7(2)9(5-6-10)8(3)4/h10-13,15-16H,2-9H2,1H3;7-8,10H,5-6H2,1-4H3
InChIKeyJXLALLHCZSDYDG-UHFFFAOYSA-N
XLogP2.62
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 102732058
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734568
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
CID 102731968
trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
CID 93317461
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol (CID 138617266) is 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol is CC(C)N(CCO)C(C)C.CN(C1CCCCC1O)C1CCCCC1O.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol?
The InChIKey is JXLALLHCZSDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C8H19NO/c1-14(10-6-2-4-8-12(10)15)11-7-3-5-9-13(11)16;1-7(2)9(5-6-10)8(3)4/h10-13,15-16H,2-9H2,1H3;7-8,10H,5-6H2,1-4H3.
What are the key properties of 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol?
2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol has a molecular weight of 372.59 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 138617266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).