1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine

C8H20N2O — CID 64681637

IUPAC1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
SMILESCOCCNCCC(C)(C)N
InChIInChI=1S/C8H20N2O/c1-8(2,9)4-5-10-6-7-11-3/h10H,4-7,9H2,1-3H3
InChIKeyQSVSYSPYOMOKNR-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.35
Rot. Bonds6

About 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine

1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine (PubChem CID 64681637) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
PubChem CID64681637
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
SMILESCOCCNCCC(C)(C)N
InChIInChI=1S/C8H20N2O/c1-8(2,9)4-5-10-6-7-11-3/h10H,4-7,9H2,1-3H3
InChIKeyQSVSYSPYOMOKNR-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.35
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

3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
6-methoxy-2-methylhexan-2-amine
CID 94975413
3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62576720
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine
CID 79599695
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907
N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 62597133

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine (CID 64681637) is 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine is COCCNCCC(C)(C)N.
What is the InChIKey of 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine?
The InChIKey is QSVSYSPYOMOKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,9)4-5-10-6-7-11-3/h10H,4-7,9H2,1-3H3.
What are the key properties of 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine?
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 64681637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).