2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine

C11H21N5 — CID 117190617

IUPAC2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(N)cnc1N1CCN(C)CC1
InChIInChI=1S/C11H21N5/c1-9(2)16-10(12)8-13-11(16)15-6-4-14(3)5-7-15/h8-9H,4-7,12H2,1-3H3
InChIKeyFJFZPAHULZVSKZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.80
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine

2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine (PubChem CID 117190617) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine
PubChem CID117190617
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(N)cnc1N1CCN(C)CC1
InChIInChI=1S/C11H21N5/c1-9(2)16-10(12)8-13-11(16)15-6-4-14(3)5-7-15/h8-9H,4-7,12H2,1-3H3
InChIKeyFJFZPAHULZVSKZ-UHFFFAOYSA-N
XLogP0.80
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-1-propan-2-ylimidazol-2-yl)piperidine
CID 117190594
1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine
CID 117260402
bis((Z)-but-2-enedioic acid);6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
CID 10459925
3-ethyl-2-piperidin-1-ylimidazol-4-amine
CID 117190590
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485
(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine
CID 129078090
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrazin-2-amine
CID 168776208
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
CID 102546786
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
CID 24797695
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
1-(5-bromo-1H-imidazol-2-yl)-4-methylpiperazine
CID 117189330

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine (CID 117190617) is 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine is CC(C)n1c(N)cnc1N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is FJFZPAHULZVSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9(2)16-10(12)8-13-11(16)15-6-4-14(3)5-7-15/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine?
2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 117190617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).