N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine

C12H26N2O — CID 155583775

IUPACN-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine
SMILESCCNCCN(C)CCOC1CC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-13-5-6-14(3)7-8-15-12-9-11(2)10-12/h11-13H,4-10H2,1-3H3
InChIKeySLOFFPLUPJGVAZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds8

About N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine (PubChem CID 155583775) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine
PubChem CID155583775
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine
SMILESCCNCCN(C)CCOC1CC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-13-5-6-14(3)7-8-15-12-9-11(2)10-12/h11-13H,4-10H2,1-3H3
InChIKeySLOFFPLUPJGVAZ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine (CID 155583775) is N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine is CCNCCN(C)CCOC1CC(C)C1.
What is the InChIKey of N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine?
The InChIKey is SLOFFPLUPJGVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-13-5-6-14(3)7-8-15-12-9-11(2)10-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 155583775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).