N-methoxy-N',N'-dimethylpropane-1,3-diamine

C6H16N2O — CID 21364272

IUPACN-methoxy-N',N'-dimethylpropane-1,3-diamine
SMILESCONCCCN(C)C
InChIInChI=1S/C6H16N2O/c1-8(2)6-4-5-7-9-3/h7H,4-6H2,1-3H3
InChIKeyWMYXBMYMMWAWBK-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.09
Rot. Bonds5

About N-methoxy-N',N'-dimethylpropane-1,3-diamine

N-methoxy-N',N'-dimethylpropane-1,3-diamine (PubChem CID 21364272) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is N-methoxy-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methoxy-N',N'-dimethylpropane-1,3-diamine
PubChem CID21364272
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC NameN-methoxy-N',N'-dimethylpropane-1,3-diamine
SMILESCONCCCN(C)C
InChIInChI=1S/C6H16N2O/c1-8(2)6-4-5-7-9-3/h7H,4-6H2,1-3H3
InChIKeyWMYXBMYMMWAWBK-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-N,N-dimethylpropan-1-amine N-oxide
CID 54151234
(3-Aminopropyl)(methoxy)methylamine dihydrochloride
CID 122163888
N~1~-Methoxy-N~1~-methylpropane-1,3-diamine
CID 14975839
N-[3-(dimethylamino)propyl]hydroxylamine
CID 17933586
N-ethoxy-N',N'-dimethylpropane-1,3-diamine
CID 20653052
3-(Ethynoxyamino)propyl-trimethylazanium
CID 20670128
N-ethynoxy-N',N'-dimethylpropane-1,3-diamine
CID 20670130
N',N'-diethyl-N-methoxypropane-1,3-diamine
CID 21364273
N-methoxypropan-1-amine;N-propylpropan-1-amine
CID 21841549
N'-(methoxymethyl)-N'-methylpropane-1,3-diamine
CID 57786567
3-amino-N,N-diethylpropan-1-amine oxide
CID 59660217
3-amino-N-(3-aminopropyl)-N-methylpropan-1-amine oxide
CID 59660222

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-methoxy-N',N'-dimethylpropane-1,3-diamine (CID 21364272) is N-methoxy-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-methoxy-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-methoxy-N',N'-dimethylpropane-1,3-diamine is CONCCCN(C)C.
What is the InChIKey of N-methoxy-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is WMYXBMYMMWAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-8(2)6-4-5-7-9-3/h7H,4-6H2,1-3H3.
What are the key properties of N-methoxy-N',N'-dimethylpropane-1,3-diamine?
N-methoxy-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 132.21 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 21364272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).