1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine

C14H29NO3 — CID 104568568

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
SMILESCOCCOCCOCCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO3/c1-16-10-11-18-13-12-17-9-8-14(15)6-4-2-3-5-7-14/h2-13,15H2,1H3
InChIKeyPPTICBOXQLTMFT-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.11
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine (PubChem CID 104568568) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
PubChem CID104568568
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
SMILESCOCCOCCOCCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO3/c1-16-10-11-18-13-12-17-9-8-14(15)6-4-2-3-5-7-14/h2-13,15H2,1H3
InChIKeyPPTICBOXQLTMFT-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-Methoxy-3-(2-methoxyethyl)octan-3-amine
CID 88322863
Azane;1-[2-(2-methoxyethoxy)ethyl]cyclohexan-1-amine
CID 89904286
3-Methyl-1-(2-methylbutan-2-yloxy)octan-3-amine
CID 139542606
1-Methoxy-3-methyltridecan-3-amine
CID 55185629
1-Methoxy-3-methyldodecan-3-amine
CID 62620545
1-Methoxy-3-methyldecan-3-amine
CID 62620728
1-Methoxy-3-methylnonan-3-amine
CID 62620730
1-Methoxy-3-methylundecan-3-amine
CID 62620732
1-(3-Methoxypropyl)cycloheptan-1-amine
CID 62620856
1-Methoxy-3-methyloctan-3-amine
CID 62620918
1-(2-Methoxyethyl)cycloheptan-1-amine
CID 62621414
1-(2-Ethoxyethyl)cycloheptan-1-amine
CID 62621598

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine (CID 104568568) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine is COCCOCCOCCC1(N)CCCCCC1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine?
The InChIKey is PPTICBOXQLTMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-16-10-11-18-13-12-17-9-8-14(15)6-4-2-3-5-7-14/h2-13,15H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine is sourced from PubChem (CID 104568568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).