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

C7H18N2O — CID 54808435

IUPACN'-(3-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCNCCNCCCOC
InChIInChI=1S/C7H18N2O/c1-8-5-6-9-4-3-7-10-2/h8-9H,3-7H2,1-2H3
InChIKeyHBWCGQPGFGCXOO-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.17
Rot. Bonds7

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

N'-(3-methoxypropyl)-N-methylethane-1,2-diamine (PubChem CID 54808435) 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 CID54808435
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameN'-(3-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCNCCNCCCOC
InChIInChI=1S/C7H18N2O/c1-8-5-6-9-4-3-7-10-2/h8-9H,3-7H2,1-2H3
InChIKeyHBWCGQPGFGCXOO-UHFFFAOYSA-N
XLogP-0.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805853
ethane;2-methoxy-N-methylethanamine
CID 91504059
methane;2-methoxy-N-methylethanamine
CID 159300149

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 54808435) 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 CNCCNCCCOC.
What is the InChIKey of N'-(3-methoxypropyl)-N-methylethane-1,2-diamine?
The InChIKey is HBWCGQPGFGCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-8-5-6-9-4-3-7-10-2/h8-9H,3-7H2,1-2H3.
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 -0.17, 7 rotatable bonds, 2 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 54808435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).