2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol

C13H27NO2 — CID 114493206

IUPAC2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol
SMILESCCC(O)(CC)CNCC1CCCCC1O
InChIInChI=1S/C13H27NO2/c1-3-13(16,4-2)10-14-9-11-7-5-6-8-12(11)15/h11-12,14-16H,3-10H2,1-2H3
InChIKeyFFZJYMZFVGVETC-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds6

About 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol

2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol (PubChem CID 114493206) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol
PubChem CID114493206
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol
SMILESCCC(O)(CC)CNCC1CCCCC1O
InChIInChI=1S/C13H27NO2/c1-3-13(16,4-2)10-14-9-11-7-5-6-8-12(11)15/h11-12,14-16H,3-10H2,1-2H3
InChIKeyFFZJYMZFVGVETC-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
3-[(thian-2-ylmethylamino)methyl]pentan-3-ol
CID 114493399
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927098
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
2-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64929004
2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64910750
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
CID 114492830

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol (CID 114493206) is 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol is CCC(O)(CC)CNCC1CCCCC1O.
What is the InChIKey of 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is FFZJYMZFVGVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-13(16,4-2)10-14-9-11-7-5-6-8-12(11)15/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol?
2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114493206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).