N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

C14H24N6 — CID 62441592

IUPACN-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(CCn2cc(CNCC(C)C)nn2)c1C
InChIInChI=1S/C14H24N6/c1-11(2)7-15-8-14-9-20(18-17-14)6-5-19-10-16-12(3)13(19)4/h9-11,15H,5-8H2,1-4H3
InChIKeyIMKOQVAWNVWPLT-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.54
Rot. Bonds7

About N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62441592) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62441592
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(CCn2cc(CNCC(C)C)nn2)c1C
InChIInChI=1S/C14H24N6/c1-11(2)7-15-8-14-9-20(18-17-14)6-5-19-10-16-12(3)13(19)4/h9-11,15H,5-8H2,1-4H3
InChIKeyIMKOQVAWNVWPLT-UHFFFAOYSA-N
XLogP1.54
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 62441592) is N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1ncn(CCn2cc(CNCC(C)C)nn2)c1C.
What is the InChIKey of N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMKOQVAWNVWPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-11(2)7-15-8-14-9-20(18-17-14)6-5-19-10-16-12(3)13(19)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62441592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).