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

C7H18N2O — CID 20653052

IUPACN-ethoxy-N',N'-dimethylpropane-1,3-diamine
SMILESCCONCCCN(C)C
InChIInChI=1S/C7H18N2O/c1-4-10-8-6-5-7-9(2)3/h8H,4-7H2,1-3H3
InChIKeyBUBRFGIQKACZES-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.48
Rot. Bonds6

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

N-ethoxy-N',N'-dimethylpropane-1,3-diamine (PubChem CID 20653052) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is N-ethoxy-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethoxy-N',N'-dimethylpropane-1,3-diamine
PubChem CID20653052
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameN-ethoxy-N',N'-dimethylpropane-1,3-diamine
SMILESCCONCCCN(C)C
InChIInChI=1S/C7H18N2O/c1-4-10-8-6-5-7-9(2)3/h8H,4-7H2,1-3H3
InChIKeyBUBRFGIQKACZES-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 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 ≤ 50.48
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-Aminopropyl)(methoxy)methylamine dihydrochloride
CID 122163888
N',N'-dimethyl-N-(2,2,2-trifluoroethoxy)propane-1,3-diamine
CID 114525240
N~1~-Methoxy-N~1~-methylpropane-1,3-diamine
CID 14975839
N-ethoxy-N-methylmethanamine;propan-1-amine
CID 19768049
3-(Ethynoxyamino)propyl-trimethylazanium
CID 20670128
N-ethynoxy-N',N'-dimethylpropane-1,3-diamine
CID 20670130
N-methoxy-N',N'-dimethylpropane-1,3-diamine
CID 21364272
N',N'-diethyl-N-methoxypropane-1,3-diamine
CID 21364273
N-ethoxy-N-ethylethanamine;propan-1-amine
CID 21841600
1-(dimethylaminooxy)-N-methylpropan-1-amine
CID 54330019
N,N'-diethoxypropane-1,3-diamine
CID 57252427
3-amino-N,N-diethylpropan-1-amine oxide
CID 59660217

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-ethoxy-N',N'-dimethylpropane-1,3-diamine (CID 20653052) is N-ethoxy-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-ethoxy-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-ethoxy-N',N'-dimethylpropane-1,3-diamine is CCONCCCN(C)C.
What is the InChIKey of N-ethoxy-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is BUBRFGIQKACZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-4-10-8-6-5-7-9(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N-ethoxy-N',N'-dimethylpropane-1,3-diamine?
N-ethoxy-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 20653052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).