1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine

C8H20N2O2 — CID 163765545

IUPAC1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
SMILESCNC(COC)C(COC)NC
InChIInChI=1S/C8H20N2O2/c1-9-7(5-11-3)8(10-2)6-12-4/h7-10H,5-6H2,1-4H3
InChIKeyMBYHBKFBOOVPOF-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.54
Rot. Bonds7

About 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine

1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine (PubChem CID 163765545) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
PubChem CID163765545
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
SMILESCNC(COC)C(COC)NC
InChIInChI=1S/C8H20N2O2/c1-9-7(5-11-3)8(10-2)6-12-4/h7-10H,5-6H2,1-4H3
InChIKeyMBYHBKFBOOVPOF-UHFFFAOYSA-N
XLogP-0.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-Bis[1-(methoxymethyl)propyl]ethane-1,2-diamine
CID 470079
N,N'-bis[(1R)-1-(methoxymethyl)propyl]ethane-1,2-diamine
CID 470080
2-[2-[1-(Methoxymethyl)propylamino]ethylamino]butan-1-ol
CID 471652
N,N'-bis[1-(ethoxymethyl)propyl]ethane-1,2-diamine
CID 16727455
N,N'-bis[(2S)-1-ethenoxybutan-2-yl]ethane-1,2-diamine
CID 146165088
N,N'-bis[(2S)-1-(1,2,2-trideuterioethenoxy)butan-2-yl]ethane-1,2-diamine
CID 146165647
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butane-1,4-diol
CID 170456355
3-methoxy-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 20666590
N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 54250491
N-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809628
N,N'-dideuterio-N-[(2S)-1-deuteriooxybutan-2-yl]-N'-[(2S)-1-methoxybutan-2-yl]ethane-1,2-diamine
CID 57611101
(2R,5S,8R,11S)-2,5,8,11-tetrakis(methoxymethyl)-1,4,7,10,13-pentazacyclopentadecane
CID 57696635

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine?
The IUPAC name of 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine (CID 163765545) is 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine.
What is the SMILES notation for 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine?
The canonical SMILES for 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine is CNC(COC)C(COC)NC.
What is the InChIKey of 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine?
The InChIKey is MBYHBKFBOOVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-9-7(5-11-3)8(10-2)6-12-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine?
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine has a molecular weight of 176.26 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine is sourced from PubChem (CID 163765545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).