1-(cyclohepten-1-yl)-2,2-diethoxyethanamine

C13H25NO2 — CID 106653819

IUPAC1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
SMILESCCOC(OCC)C(N)C1=CCCCCC1
InChIInChI=1S/C13H25NO2/c1-3-15-13(16-4-2)12(14)11-9-7-5-6-8-10-11/h9,12-13H,3-8,10,14H2,1-2H3
InChIKeyVPSUJDKVTWDHTN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.60
Rot. Bonds6

About 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine

1-(cyclohepten-1-yl)-2,2-diethoxyethanamine (PubChem CID 106653819) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
PubChem CID106653819
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
SMILESCCOC(OCC)C(N)C1=CCCCCC1
InChIInChI=1S/C13H25NO2/c1-3-15-13(16-4-2)12(14)11-9-7-5-6-8-10-11/h9,12-13H,3-8,10,14H2,1-2H3
InChIKeyVPSUJDKVTWDHTN-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 106654499
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
[1-(cycloocten-1-yl)-2-cyclopropyl-2-ethoxyethyl]hydrazine
CID 106649582
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine (CID 106653819) is 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine is CCOC(OCC)C(N)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine?
The InChIKey is VPSUJDKVTWDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-15-13(16-4-2)12(14)11-9-7-5-6-8-10-11/h9,12-13H,3-8,10,14H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine?
1-(cyclohepten-1-yl)-2,2-diethoxyethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2,2-diethoxyethanamine is sourced from PubChem (CID 106653819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).