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

C9H22N2O — CID 79409704

IUPAC3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine
SMILESCOCCN(C)C(C)C(C)CN
InChIInChI=1S/C9H22N2O/c1-8(7-10)9(2)11(3)5-6-12-4/h8-9H,5-7,10H2,1-4H3
InChIKeyWDJCFQXFYXVNNG-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.55
Rot. Bonds6

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

3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 79409704) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine
PubChem CID79409704
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine
SMILESCOCCN(C)C(C)C(C)CN
InChIInChI=1S/C9H22N2O/c1-8(7-10)9(2)11(3)5-6-12-4/h8-9H,5-7,10H2,1-4H3
InChIKeyWDJCFQXFYXVNNG-UHFFFAOYSA-N
XLogP0.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
3-amino-2-[2-methoxyethyl(methyl)amino]propan-1-ol
CID 104710884
3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
CID 79407111
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
1-N,1-N'-bis(2-methoxyethyl)-1-N,1-N'-dimethylethane-1,1-diamine;prop-1-yne
CID 144530363
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
N,N-dimethylmethanamine;2-methoxyethanamine
CID 172823612
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
1-(2-methoxyethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 62362563

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine (CID 79409704) is 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine is COCCN(C)C(C)C(C)CN.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is WDJCFQXFYXVNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(7-10)9(2)11(3)5-6-12-4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine?
3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79409704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).