4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine

C12H24N4O — CID 55149399

IUPAC4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
SMILESCOCCC(C)(CN)N(C)Cc1nccn1C
InChIInChI=1S/C12H24N4O/c1-12(10-13,5-8-17-4)16(3)9-11-14-6-7-15(11)2/h6-7H,5,8-10,13H2,1-4H3
InChIKeyRQIBPQVNBYXALA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds7

About 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine

4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine (PubChem CID 55149399) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
PubChem CID55149399
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
SMILESCOCCC(C)(CN)N(C)Cc1nccn1C
InChIInChI=1S/C12H24N4O/c1-12(10-13,5-8-17-4)16(3)9-11-14-6-7-15(11)2/h6-7H,5,8-10,13H2,1-4H3
InChIKeyRQIBPQVNBYXALA-UHFFFAOYSA-N
XLogP0.61
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 63015159
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine
CID 63013198
2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 63013012
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
1-N-(3-methoxypropyl)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63024687
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114290676
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
2-cyclopropyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 114990475

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine (CID 55149399) is 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine is COCCC(C)(CN)N(C)Cc1nccn1C.
What is the InChIKey of 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
The InChIKey is RQIBPQVNBYXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12(10-13,5-8-17-4)16(3)9-11-14-6-7-15(11)2/h6-7H,5,8-10,13H2,1-4H3.
What are the key properties of 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 55149399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).