[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol

C14H27NO2 — CID 114465704

IUPAC[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESC=C(C)COCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H27NO2/c1-13(2)10-17-9-8-15-11-14(12-16)6-4-3-5-7-14/h15-16H,1,3-12H2,2H3
InChIKeyOPBUCGBWVBSVNY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.11
Rot. Bonds8

About [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 114465704) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol
PubChem CID114465704
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESC=C(C)COCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H27NO2/c1-13(2)10-17-9-8-15-11-14(12-16)6-4-3-5-7-14/h15-16H,1,3-12H2,2H3
InChIKeyOPBUCGBWVBSVNY-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-Methoxyethylamino)methyl]cyclohexyl]methanol
CID 81411980
[1-[(2-Ethoxyethylamino)methyl]cyclohexyl]methanol
CID 81412729
[1-[[2-(2-Methoxyethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 81418523
[1-[[2-(3-Methylbutoxy)ethylamino]methyl]cyclohexyl]methanol
CID 81418622
[1-[(2-Butoxyethylamino)methyl]cyclohexyl]methanol
CID 81419022
[1-[(1-Ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419828
[1-[[2-(3-Methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol
CID 103179390
[1-[(2-Propan-2-yloxyethylamino)methyl]cyclohexyl]methanol
CID 103966421
[1-[(2-Propoxyethylamino)methyl]cyclohexyl]methanol
CID 106452436
[1-[[2-[(2-Methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
[1-[[2-[2-(Dimethylamino)ethoxy]ethylamino]methyl]cyclohexyl]methanol
CID 114126917
[1-[(2-But-3-enoxyethylamino)methyl]cyclohexyl]methanol
CID 114183548

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol (CID 114465704) is [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol is C=C(C)COCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is OPBUCGBWVBSVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)10-17-9-8-15-11-14(12-16)6-4-3-5-7-14/h15-16H,1,3-12H2,2H3.
What are the key properties of [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 241.37 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 114465704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).