[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine

C14H29NO3 — CID 115486774

IUPAC[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine
SMILESCCOC(COCC1CCCCC1CN)OCC
InChIInChI=1S/C14H29NO3/c1-3-17-14(18-4-2)11-16-10-13-8-6-5-7-12(13)9-15/h12-14H,3-11,15H2,1-2H3
InChIKeyRTXVXIPYBOFVLJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.17
Rot. Bonds9

About [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine

[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine (PubChem CID 115486774) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine
PubChem CID115486774
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine
SMILESCCOC(COCC1CCCCC1CN)OCC
InChIInChI=1S/C14H29NO3/c1-3-17-14(18-4-2)11-16-10-13-8-6-5-7-12(13)9-15/h12-14H,3-11,15H2,1-2H3
InChIKeyRTXVXIPYBOFVLJ-UHFFFAOYSA-N
XLogP2.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
CID 113320306
[2-(3-fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
1,2-bis(2-methylpropoxymethyl)cyclopentane
CID 90987862
2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
CID 106938444
[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
CID 79338390
2-(ethoxymethyl)cyclohexan-1-amine
CID 79568761
methyl 3-[[2-(aminomethyl)cyclohexyl]methoxy]propanoate
CID 106940266
[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate
CID 79337155
2-[[2-(aminomethyl)cyclopentyl]methoxy]propanoic acid
CID 106940301
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
1-(2,2-diethoxyethoxymethyl)cyclopentan-1-amine
CID 115486754

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine (CID 115486774) is [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine is CCOC(COCC1CCCCC1CN)OCC.
What is the InChIKey of [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine?
The InChIKey is RTXVXIPYBOFVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-17-14(18-4-2)11-16-10-13-8-6-5-7-12(13)9-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine?
[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 115486774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).