1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine

C15H24N4O — CID 63015492

IUPAC1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1ccc(C)o1)N(C)Cc1nccn1C
InChIInChI=1S/C15H24N4O/c1-5-12(16)15(13-7-6-11(2)20-13)19(4)10-14-17-8-9-18(14)3/h6-9,12,15H,5,10,16H2,1-4H3
InChIKeyRDMCLOYFVNBEAG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds6

About 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine

1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine (PubChem CID 63015492) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
PubChem CID63015492
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1ccc(C)o1)N(C)Cc1nccn1C
InChIInChI=1S/C15H24N4O/c1-5-12(16)15(13-7-6-11(2)20-13)19(4)10-14-17-8-9-18(14)3/h6-9,12,15H,5,10,16H2,1-4H3
InChIKeyRDMCLOYFVNBEAG-UHFFFAOYSA-N
XLogP2.23
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylpropane-1,2-diamine
CID 63013897
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine (CID 63015492) is 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine is CCC(N)C(c1ccc(C)o1)N(C)Cc1nccn1C.
What is the InChIKey of 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
The InChIKey is RDMCLOYFVNBEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-12(16)15(13-7-6-11(2)20-13)19(4)10-14-17-8-9-18(14)3/h6-9,12,15H,5,10,16H2,1-4H3.
What are the key properties of 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine?
1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine has a molecular weight of 276.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63015492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).