1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

C11H24N2O — CID 81058894

IUPAC1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)C1CCC1
InChIInChI=1S/C11H24N2O/c1-3-14-8-7-13(2)11(9-12)10-5-4-6-10/h10-11H,3-9,12H2,1-2H3
InChIKeyDRLCLZGWNOMSPH-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds7

About 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine (PubChem CID 81058894) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
PubChem CID81058894
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)C1CCC1
InChIInChI=1S/C11H24N2O/c1-3-14-8-7-13(2)11(9-12)10-5-4-6-10/h10-11H,3-9,12H2,1-2H3
InChIKeyDRLCLZGWNOMSPH-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82965277
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
CID 62071758
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
1-cyclopropyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylethane-1,2-diamine
CID 116652972
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206854
N-methyl-1-(3-methylcyclohexyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79850328
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132836
4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
CID 116653004
1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
CID 116652552

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine (CID 81058894) is 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine is CCOCCN(C)C(CN)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
The InChIKey is DRLCLZGWNOMSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-14-8-7-13(2)11(9-12)10-5-4-6-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine?
1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 81058894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).