N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

C7H18N2O — CID 54595302

IUPACN'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCOCCCN(C)CCN
InChIInChI=1S/C7H18N2O/c1-9(6-4-8)5-3-7-10-2/h3-8H2,1-2H3
InChIKeyQJQMXWCURXPEDN-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.09
Rot. Bonds6

About N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 54595302) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID54595302
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameN'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCOCCCN(C)CCN
InChIInChI=1S/C7H18N2O/c1-9(6-4-8)5-3-7-10-2/h3-8H2,1-2H3
InChIKeyQJQMXWCURXPEDN-UHFFFAOYSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-methoxypropyl)-N'-methylethane-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

1-(3-Methoxypropyl)piperazine
CID 1822536
3-[(2-Aminoethyl)(methyl)amino]propan-1-ol
CID 14219639
N-(3-Methoxypropyl)-1,3-propylenediamine
CID 106642
N~1~-(3-Methoxypropyl)ethane-1,2-diamine
CID 28301695
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491337
N'-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491373
N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491375
N-(3-methoxypropyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554989
N'-ethyl-N-(3-methoxypropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555478
N-(3-methoxypropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559721
N'-(3-methoxypropyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 63008330
N-(3-methoxypropyl)-N'-methyl-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 65531136

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (CID 54595302) is N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is COCCCN(C)CCN.
What is the InChIKey of N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is QJQMXWCURXPEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-9(6-4-8)5-3-7-10-2/h3-8H2,1-2H3.
What are the key properties of N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 146.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 54595302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).