N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

C15H32N2O — CID 63691083

IUPACN'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNC1CCC(C)CC1
InChIInChI=1S/C15H32N2O/c1-4-17(12-13-18-5-2)11-10-16-15-8-6-14(3)7-9-15/h14-16H,4-13H2,1-3H3
InChIKeyJFMOKLGSTCOXPI-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63691083) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63691083
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCOCCN(CC)CCNC1CCC(C)CC1
InChIInChI=1S/C15H32N2O/c1-4-17(12-13-18-5-2)11-10-16-15-8-6-14(3)7-9-15/h14-16H,4-13H2,1-3H3
InChIKeyJFMOKLGSTCOXPI-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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

N',N'-bis(2-ethoxyethyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 82943267
N-cycloheptyl-N'-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 63690919
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 82944024
N'-(cyclopropylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63938742
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
CID 55225955
N-cyclopropyl-N'-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 65175083
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 63691083) is N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is CCOCCN(CC)CCNC1CCC(C)CC1.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is JFMOKLGSTCOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-17(12-13-18-5-2)11-10-16-15-8-6-14(3)7-9-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63691083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).