[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine

C14H29NO3 — CID 113320306

IUPAC[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
SMILESCCOC(CCOC1CCCCC1CN)OCC
InChIInChI=1S/C14H29NO3/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h12-14H,3-11,15H2,1-2H3
InChIKeyQOAIVBRBVULWCP-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.31
Rot. Bonds9

About [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine

[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine (PubChem CID 113320306) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
PubChem CID113320306
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
SMILESCCOC(CCOC1CCCCC1CN)OCC
InChIInChI=1S/C14H29NO3/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h12-14H,3-11,15H2,1-2H3
InChIKeyQOAIVBRBVULWCP-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867
[2-(2-ethoxyethoxy)cyclopentyl]methanamine
CID 43428799
[2-(ethoxymethoxy)cyclopentyl]methanamine
CID 106938405
[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine
CID 115486774
2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
CID 63074126
[2-(methoxymethoxy)cyclohexyl]methanamine
CID 106938418
2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
CID 106938416
3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
CID 106938411
ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428865
(2-methoxycyclopentyl)methanamine
CID 43428752
2-(ethylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 63041537

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine (CID 113320306) is [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine is CCOC(CCOC1CCCCC1CN)OCC.
What is the InChIKey of [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine?
The InChIKey is QOAIVBRBVULWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine?
[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-diethoxypropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 113320306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).