N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H27N5 — CID 120969869

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCN1CCN(C(C)CNC2=NCCN2C)CC1
InChIInChI=1S/C13H27N5/c1-4-17-7-9-18(10-8-17)12(2)11-15-13-14-5-6-16(13)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyNZEPEBADOYJEQW-UHFFFAOYSA-N
MW253.39 g/mol
LogP-0.10
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120969869) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120969869
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCN1CCN(C(C)CNC2=NCCN2C)CC1
InChIInChI=1S/C13H27N5/c1-4-17-7-9-18(10-8-17)12(2)11-15-13-14-5-6-16(13)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyNZEPEBADOYJEQW-UHFFFAOYSA-N
XLogP-0.10
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120969869) is N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine is CCN1CCN(C(C)CNC2=NCCN2C)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is NZEPEBADOYJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-4-17-7-9-18(10-8-17)12(2)11-15-13-14-5-6-16(13)3/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 253.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).