N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C14H30N2O2 — CID 104745390

IUPACN'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(CCOC)CC(C)C)C1CCOC1
InChIInChI=1S/C14H30N2O2/c1-12(2)9-16(6-8-17-4)10-14(15-3)13-5-7-18-11-13/h12-15H,5-11H2,1-4H3
InChIKeyIGXAGBLMWXSRTI-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.22
Rot. Bonds9

About N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745390) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745390
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCNC(CN(CCOC)CC(C)C)C1CCOC1
InChIInChI=1S/C14H30N2O2/c1-12(2)9-16(6-8-17-4)10-14(15-3)13-5-7-18-11-13/h12-15H,5-11H2,1-4H3
InChIKeyIGXAGBLMWXSRTI-UHFFFAOYSA-N
XLogP1.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745249
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448139
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745390) is N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CNC(CN(CCOC)CC(C)C)C1CCOC1.
What is the InChIKey of N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is IGXAGBLMWXSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)9-16(6-8-17-4)10-14(15-3)13-5-7-18-11-13/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).