2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine

C16H34N2O — CID 63692668

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(CC)CCOCC
InChIInChI=1S/C16H34N2O/c1-4-17-16-11-9-7-8-10-15(16)14-18(5-2)12-13-19-6-3/h15-17H,4-14H2,1-3H3
InChIKeyCBOZEQWXUNUQIC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine

2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine (PubChem CID 63692668) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
PubChem CID63692668
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(CC)CCOCC
InChIInChI=1S/C16H34N2O/c1-4-17-16-11-9-7-8-10-15(16)14-18(5-2)12-13-19-6-3/h15-17H,4-14H2,1-3H3
InChIKeyCBOZEQWXUNUQIC-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine (CID 63692668) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CN(CC)CCOCC.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
The InChIKey is CBOZEQWXUNUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-17-16-11-9-7-8-10-15(16)14-18(5-2)12-13-19-6-3/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine?
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 63692668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).