N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine

C12H27N3O — CID 174317493

IUPACN'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine
SMILESC=C(COCCNCCN(C)CCC)NC
InChIInChI=1S/C12H27N3O/c1-5-8-15(4)9-6-14-7-10-16-11-12(2)13-3/h13-14H,2,5-11H2,1,3-4H3
InChIKeyLHPZPHIFRUGEMG-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.67
Rot. Bonds11

About N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine

N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine (PubChem CID 174317493) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine
PubChem CID174317493
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine
SMILESC=C(COCCNCCN(C)CCC)NC
InChIInChI=1S/C12H27N3O/c1-5-8-15(4)9-6-14-7-10-16-11-12(2)13-3/h13-14H,2,5-11H2,1,3-4H3
InChIKeyLHPZPHIFRUGEMG-UHFFFAOYSA-N
XLogP0.67
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine (CID 174317493) is N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine is C=C(COCCNCCN(C)CCC)NC.
What is the InChIKey of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?
The InChIKey is LHPZPHIFRUGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-8-15(4)9-6-14-7-10-16-11-12(2)13-3/h13-14H,2,5-11H2,1,3-4H3.
What are the key properties of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?
N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 174317493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).