3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine

C13H26N2O — CID 103225186

IUPAC3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
SMILESC=CCN(CC=C)C(CNCCC)COC
InChIInChI=1S/C13H26N2O/c1-5-8-14-11-13(12-16-4)15(9-6-2)10-7-3/h6-7,13-14H,2-3,5,8-12H2,1,4H3
InChIKeyWVMJMZMEDDCODL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.67
Rot. Bonds11

About 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine

3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine (PubChem CID 103225186) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
PubChem CID103225186
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
SMILESC=CCN(CC=C)C(CNCCC)COC
InChIInChI=1S/C13H26N2O/c1-5-8-14-11-13(12-16-4)15(9-6-2)10-7-3/h6-7,13-14H,2-3,5,8-12H2,1,4H3
InChIKeyWVMJMZMEDDCODL-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.67
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 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-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

3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340293
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 103225187
3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine
CID 103227188
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103227121
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1-N-propylpentane-1,2-diamine
CID 83054922
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
2-[1-methoxybutan-2-yl(prop-2-enyl)amino]acetic acid
CID 79285042

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine (CID 103225186) is 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine is C=CCN(CC=C)C(CNCCC)COC.
What is the InChIKey of 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine?
The InChIKey is WVMJMZMEDDCODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-8-14-11-13(12-16-4)15(9-6-2)10-7-3/h6-7,13-14H,2-3,5,8-12H2,1,4H3.
What are the key properties of 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine?
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103225186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).