N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine

C9H20N2O — CID 62557035

IUPACN'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)CCOC
InChIInChI=1S/C9H20N2O/c1-4-5-10-6-7-11(2)8-9-12-3/h4,10H,1,5-9H2,2-3H3
InChIKeyOIFRHTHVAJDAKG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.34
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine (PubChem CID 62557035) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
PubChem CID62557035
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)CCOC
InChIInChI=1S/C9H20N2O/c1-4-5-10-6-7-11(2)8-9-12-3/h4,10H,1,5-9H2,2-3H3
InChIKeyOIFRHTHVAJDAKG-UHFFFAOYSA-N
XLogP0.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-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',N'-bis(2-methoxyethyl)-N-prop-2-enylethane-1,2-diamine
CID 62561595
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
CID 114493091
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanenitrile
CID 62843290
N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 62566842
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine (CID 62557035) is N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is OIFRHTHVAJDAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-10-6-7-11(2)8-9-12-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62557035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).