2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine

C15H32N2O — CID 63697025

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
SMILESCCOCCN(CC)C1CCCCCCC1NC
InChIInChI=1S/C15H32N2O/c1-4-17(12-13-18-5-2)15-11-9-7-6-8-10-14(15)16-3/h14-16H,4-13H2,1-3H3
InChIKeyZXRBALWHDWATBC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds7

About 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine (PubChem CID 63697025) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
PubChem CID63697025
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
SMILESCCOCCN(CC)C1CCCCCCC1NC
InChIInChI=1S/C15H32N2O/c1-4-17(12-13-18-5-2)15-11-9-7-6-8-10-14(15)16-3/h14-16H,4-13H2,1-3H3
InChIKeyZXRBALWHDWATBC-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
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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Related Compounds

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
CID 63466736
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 55226719
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55226538
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63696126
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 81059328
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine (CID 63697025) is 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine is CCOCCN(CC)C1CCCCCCC1NC.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine?
The InChIKey is ZXRBALWHDWATBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-17(12-13-18-5-2)15-11-9-7-6-8-10-14(15)16-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine is sourced from PubChem (CID 63697025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).