N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

C15H32N2O — CID 104745249

IUPACN'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(NC)C1CCOC1
InChIInChI=1S/C15H32N2O/c1-5-13(6-2)10-17(7-3)11-15(16-4)14-8-9-18-12-14/h13-16H,5-12H2,1-4H3
InChIKeyNSNQPAQMPLWBAT-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds9

About N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745249) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745249
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(NC)C1CCOC1
InChIInChI=1S/C15H32N2O/c1-5-13(6-2)10-17(7-3)11-15(16-4)14-8-9-18-12-14/h13-16H,5-12H2,1-4H3
InChIKeyNSNQPAQMPLWBAT-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)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

Related Compounds

3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
CID 82923429
[3-ethyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 105229503
N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745390
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
CID 63915177

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745249) is N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is CCC(CC)CN(CC)CC(NC)C1CCOC1.
What is the InChIKey of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is NSNQPAQMPLWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-13(6-2)10-17(7-3)11-15(16-4)14-8-9-18-12-14/h13-16H,5-12H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).