2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine

C14H29NO3 — CID 103177313

IUPAC2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine
SMILESCOCCCOCCOC1CC(C)(C)CCC1N
InChIInChI=1S/C14H29NO3/c1-14(2)6-5-12(15)13(11-14)18-10-9-17-8-4-7-16-3/h12-13H,4-11,15H2,1-3H3
InChIKeyMAAVKEVBXYXMQT-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.96
Rot. Bonds8

About 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine

2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine (PubChem CID 103177313) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine
PubChem CID103177313
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine
SMILESCOCCCOCCOC1CC(C)(C)CCC1N
InChIInChI=1S/C14H29NO3/c1-14(2)6-5-12(15)13(11-14)18-10-9-17-8-4-7-16-3/h12-13H,4-11,15H2,1-3H3
InChIKeyMAAVKEVBXYXMQT-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

7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54936727
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
[2-(3-methoxypropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012391
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-ol
CID 103176139
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
CID 103176134
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine
CID 54936675
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
2-ethoxy-3-[2-(2-methoxyethoxy)ethoxy]cyclobutan-1-amine
CID 104676703

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine (CID 103177313) is 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine is COCCCOCCOC1CC(C)(C)CCC1N.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is MAAVKEVBXYXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-14(2)6-5-12(15)13(11-14)18-10-9-17-8-4-7-16-3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine?
2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine 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 2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103177313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).