[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol

C14H29NO2 — CID 113359626

IUPAC[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
SMILESCC(C)(C)OCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)17-10-9-15-11-14(12-16)7-5-4-6-8-14/h15-16H,4-12H2,1-3H3
InChIKeyPJISEBRLONNJTA-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds6

About [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol

[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol (PubChem CID 113359626) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
PubChem CID113359626
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
SMILESCC(C)(C)OCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)17-10-9-15-11-14(12-16)7-5-4-6-8-14/h15-16H,4-12H2,1-3H3
InChIKeyPJISEBRLONNJTA-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutyl]methanol
CID 112592330
[1-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentyl]methanol
CID 103033509
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
CID 105416787
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol (CID 113359626) is [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol is CC(C)(C)OCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is PJISEBRLONNJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)17-10-9-15-11-14(12-16)7-5-4-6-8-14/h15-16H,4-12H2,1-3H3.
What are the key properties of [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 113359626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).