[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine

C14H29NO3 — CID 65052823

IUPAC[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
SMILESCOCCOCCOC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C14H29NO3/c1-13(2)4-6-14(12-15,7-5-13)18-11-10-17-9-8-16-3/h4-12,15H2,1-3H3
InChIKeyQHZCZWYVIRADQX-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.96
Rot. Bonds8

About [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine

[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 65052823) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
PubChem CID65052823
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
SMILESCOCCOCCOC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C14H29NO3/c1-13(2)4-6-14(12-15,7-5-13)18-11-10-17-9-8-16-3/h4-12,15H2,1-3H3
InChIKeyQHZCZWYVIRADQX-UHFFFAOYSA-N
XLogP1.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
CID 81107245
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoic acid
CID 65052245
[1-(2-ethylsulfonylethoxy)-4,4-dimethylcyclohexyl]methanamine
CID 65052194
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine
CID 65050899
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65050735
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol
CID 106988270
[1-[2-(2,2,2-trifluoroethoxy)ethoxy]cyclopentyl]methanamine
CID 65051139
[4,4-dimethyl-1-(2-pyrazol-1-ylethoxy)cyclohexyl]methanamine
CID 65050468
[4-[2-(3-methylbutoxy)ethoxy]oxan-4-yl]methanamine
CID 65051978

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine (CID 65052823) is [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine is COCCOCCOC1(CN)CCC(C)(C)CC1.
What is the InChIKey of [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is QHZCZWYVIRADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-13(2)4-6-14(12-15,7-5-13)18-11-10-17-9-8-16-3/h4-12,15H2,1-3H3.
What are the key properties of [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine?
[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65052823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).