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

C11H24N2O2 — CID 82754461

IUPACN-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCOCCNCCN(C)C1CCOC1
InChIInChI=1S/C11H24N2O2/c1-3-14-9-6-12-5-7-13(2)11-4-8-15-10-11/h11-12H,3-10H2,1-2H3
InChIKeySDPOYDDJCCNELT-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.33
Rot. Bonds8

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

N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754461) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82754461
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCOCCNCCN(C)C1CCOC1
InChIInChI=1S/C11H24N2O2/c1-3-14-9-6-12-5-7-13(2)11-4-8-15-10-11/h11-12H,3-10H2,1-2H3
InChIKeySDPOYDDJCCNELT-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.33
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-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N-butyl-N-methyloxolan-3-amine
CID 154189060
N'-cyclopropyl-N-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 62559981
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754362
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82754461) is N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is CCOCCNCCN(C)C1CCOC1.
What is the InChIKey of N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is SDPOYDDJCCNELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-14-9-6-12-5-7-13(2)11-4-8-15-10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).