1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine

C9H20N2O — CID 103339269

IUPAC1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)CC(C)N
InChIInChI=1S/C9H20N2O/c1-4-5-11(6-7-12-3)8-9(2)10/h4,9H,1,5-8,10H2,2-3H3
InChIKeyGLVIATPKXWIVDD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.47
Rot. Bonds7

About 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine

1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 103339269) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID103339269
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)CC(C)N
InChIInChI=1S/C9H20N2O/c1-4-5-11(6-7-12-3)8-9(2)10/h4,9H,1,5-8,10H2,2-3H3
InChIKeyGLVIATPKXWIVDD-UHFFFAOYSA-N
XLogP0.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
CID 103339332
N-ethyl-N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339273
N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339366
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N'-(2-methoxyethyl)-N-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 103339315
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
N,N'-bis(2-methoxyethyl)-N'-prop-2-enylethane-1,2-diamine
CID 103339442
1-[[2-methoxyethyl(prop-2-enyl)amino]methyl]cyclopentan-1-amine
CID 103339270
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339453
N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine
CID 62381780

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine (CID 103339269) is 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine is C=CCN(CCOC)CC(C)N.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is GLVIATPKXWIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-11(6-7-12-3)8-9(2)10/h4,9H,1,5-8,10H2,2-3H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine?
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 103339269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).