N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine

C12H26N2O2 — CID 62555118

IUPACN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CCCOC)CCOC
InChIInChI=1S/C12H26N2O2/c1-4-6-13-7-9-14(10-12-16-3)8-5-11-15-2/h4,13H,1,5-12H2,2-3H3
InChIKeyNVXDBICCCGOVFP-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.75
Rot. Bonds12

About N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine

N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 62555118) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID62555118
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(CCCOC)CCOC
InChIInChI=1S/C12H26N2O2/c1-4-6-13-7-9-14(10-12-16-3)8-5-11-15-2/h4,13H,1,5-12H2,2-3H3
InChIKeyNVXDBICCCGOVFP-UHFFFAOYSA-N
XLogP0.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(3-methoxypropyl)-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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine (CID 62555118) is N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(CCCOC)CCOC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is NVXDBICCCGOVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-6-13-7-9-14(10-12-16-3)8-5-11-15-2/h4,13H,1,5-12H2,2-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62555118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).