1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine

C14H29NO3 — CID 104565674

IUPAC1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(OCCOCCOC)CCCCCC1
InChIInChI=1S/C14H29NO3/c1-15-13-14(7-5-3-4-6-8-14)18-12-11-17-10-9-16-2/h15H,3-13H2,1-2H3
InChIKeyDFLKEZJJLYNLMV-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.98
Rot. Bonds9

About 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine

1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine (PubChem CID 104565674) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
PubChem CID104565674
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(OCCOCCOC)CCCCCC1
InChIInChI=1S/C14H29NO3/c1-15-13-14(7-5-3-4-6-8-14)18-12-11-17-10-9-16-2/h15H,3-13H2,1-2H3
InChIKeyDFLKEZJJLYNLMV-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 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 ≤ 51.98
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-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
CID 103180422
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 62106218
N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclohexyl]methanamine
CID 82792025
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447736

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine (CID 104565674) is 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine is CNCC1(OCCOCCOC)CCCCCC1.
What is the InChIKey of 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine?
The InChIKey is DFLKEZJJLYNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-15-13-14(7-5-3-4-6-8-14)18-12-11-17-10-9-16-2/h15H,3-13H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine?
1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine has a molecular weight of 259.39 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 104565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).