N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine

C13H21N5 — CID 56758299

IUPACN,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1ccnc1-c1nc[nH]c1C
InChIInChI=1S/C13H21N5/c1-4-17(5-2)8-9-18-7-6-14-13(18)12-11(3)15-10-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyOHULMKFZOQDVCW-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.92
Rot. Bonds6

About N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine

N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine (PubChem CID 56758299) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine
PubChem CID56758299
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1ccnc1-c1nc[nH]c1C
InChIInChI=1S/C13H21N5/c1-4-17(5-2)8-9-18-7-6-14-13(18)12-11(3)15-10-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyOHULMKFZOQDVCW-UHFFFAOYSA-N
XLogP1.92
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine (CID 56758299) is N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine is CCN(CC)CCn1ccnc1-c1nc[nH]c1C.
What is the InChIKey of N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine?
The InChIKey is OHULMKFZOQDVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-17(5-2)8-9-18-7-6-14-13(18)12-11(3)15-10-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine?
N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 56758299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).