N'-ethoxy-N'-methylbutane-1,4-diamine

C7H18N2O — CID 87639877

IUPACN'-ethoxy-N'-methylbutane-1,4-diamine
SMILESCCON(C)CCCCN
InChIInChI=1S/C7H18N2O/c1-3-10-9(2)7-5-4-6-8/h3-8H2,1-2H3
InChIKeyYMJQLUYHUHPPET-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.61
Rot. Bonds6

About N'-ethoxy-N'-methylbutane-1,4-diamine

N'-ethoxy-N'-methylbutane-1,4-diamine (PubChem CID 87639877) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is N'-ethoxy-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethoxy-N'-methylbutane-1,4-diamine
PubChem CID87639877
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameN'-ethoxy-N'-methylbutane-1,4-diamine
SMILESCCON(C)CCCCN
InChIInChI=1S/C7H18N2O/c1-3-10-9(2)7-5-4-6-8/h3-8H2,1-2H3
InChIKeyYMJQLUYHUHPPET-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
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

N-propoxybutan-1-amine
CID 22322685
N-ethoxy-N-methylmethanamine;propan-1-amine
CID 19768049
N-ethoxy-N',N'-dimethylpropane-1,3-diamine
CID 20653052
N-methoxy-N',N'-dimethylpropane-1,3-diamine
CID 21364272
N-ethoxy-N-ethylethanamine;propan-1-amine
CID 21841600
1-(dimethylaminooxy)-N-methylpropan-1-amine
CID 54330019
N-methyl-4-(methylaminooxy)butan-1-amine
CID 57579189
O-[3-(butylamino)propyl]hydroxylamine
CID 59259668
2-[Methyl(propoxy)amino]ethylazanium
CID 60020394
N'-methyl-N'-propoxyethane-1,2-diamine
CID 60020395
N-[2-(dimethylamino)ethoxy]propan-1-amine
CID 71439412
ethanamine;N-ethoxy-N-methylmethanamine
CID 87153998

Frequently Asked Questions

What is the IUPAC name of N'-ethoxy-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-ethoxy-N'-methylbutane-1,4-diamine (CID 87639877) is N'-ethoxy-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-ethoxy-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-ethoxy-N'-methylbutane-1,4-diamine is CCON(C)CCCCN.
What is the InChIKey of N'-ethoxy-N'-methylbutane-1,4-diamine?
The InChIKey is YMJQLUYHUHPPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-10-9(2)7-5-4-6-8/h3-8H2,1-2H3.
What are the key properties of N'-ethoxy-N'-methylbutane-1,4-diamine?
N'-ethoxy-N'-methylbutane-1,4-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxy-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 87639877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).