N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C12H26N2O2 — CID 62574226

IUPACN'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCCOC)CC1CCCO1
InChIInChI=1S/C12H26N2O2/c1-3-14(8-6-13-7-10-15-2)11-12-5-4-9-16-12/h12-13H,3-11H2,1-2H3
InChIKeyWJBWIJILGFMGPY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds9

About N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62574226) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62574226
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCCOC)CC1CCCO1
InChIInChI=1S/C12H26N2O2/c1-3-14(8-6-13-7-10-15-2)11-12-5-4-9-16-12/h12-13H,3-11H2,1-2H3
InChIKeyWJBWIJILGFMGPY-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060813
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 107402185
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 70585508
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 55087706
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62574226) is N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CCNCCOC)CC1CCCO1.
What is the InChIKey of N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WJBWIJILGFMGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-14(8-6-13-7-10-15-2)11-12-5-4-9-16-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62574226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).