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

C13H26N2O2 — CID 104746914

IUPACN-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C1CCOC1)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-14-13(11-4-6-16-9-11)8-15(2)12-5-7-17-10-12/h11-14H,3-10H2,1-2H3
InChIKeyZUHQXIDKVDQMDL-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds6

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

N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104746914) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104746914
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C1CCOC1)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-14-13(11-4-6-16-9-11)8-15(2)12-5-7-17-10-12/h11-14H,3-10H2,1-2H3
InChIKeyZUHQXIDKVDQMDL-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N'-methyl-N',1-bis(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

N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
N-ethyl-N'-methyl-N'-(2-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745529
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746452
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742
2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile
CID 82748975
N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745572

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine (CID 104746914) is N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine is CCNC(CN(C)C1CCOC1)C1CCOC1.
What is the InChIKey of N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ZUHQXIDKVDQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-13(11-4-6-16-9-11)8-15(2)12-5-7-17-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104746914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).