3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine

C10H20N4O — CID 103226455

IUPAC3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCOCC(CN)N(C)Cc1nccn1C
InChIInChI=1S/C10H20N4O/c1-13-5-4-12-10(13)7-14(2)9(6-11)8-15-3/h4-5,9H,6-8,11H2,1-3H3
InChIKeyYIRLSFOIUTXLLH-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.17
Rot. Bonds6

About 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine

3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (PubChem CID 103226455) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
PubChem CID103226455
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCOCC(CN)N(C)Cc1nccn1C
InChIInChI=1S/C10H20N4O/c1-13-5-4-12-10(13)7-14(2)9(6-11)8-15-3/h4-5,9H,6-8,11H2,1-3H3
InChIKeyYIRLSFOIUTXLLH-UHFFFAOYSA-N
XLogP-0.17
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
1-N-(3-methoxypropyl)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63024687
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 55149399
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013919
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 63015155
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 83054407
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (CID 103226455) is 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is COCC(CN)N(C)Cc1nccn1C.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The InChIKey is YIRLSFOIUTXLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-13-5-4-12-10(13)7-14(2)9(6-11)8-15-3/h4-5,9H,6-8,11H2,1-3H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103226455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).