3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine

C11H21N5 — CID 117188547

IUPAC3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine
SMILESCCn1c(N)cnc1CN1CCN(C)CC1
InChIInChI=1S/C11H21N5/c1-3-16-10(12)8-13-11(16)9-15-6-4-14(2)5-7-15/h8H,3-7,9,12H2,1-2H3
InChIKeyPZFJXPCGJDYIRN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.23
Rot. Bonds3

About 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine

3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine (PubChem CID 117188547) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine
PubChem CID117188547
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine
SMILESCCn1c(N)cnc1CN1CCN(C)CC1
InChIInChI=1S/C11H21N5/c1-3-16-10(12)8-13-11(16)9-15-6-4-14(2)5-7-15/h8H,3-7,9,12H2,1-2H3
InChIKeyPZFJXPCGJDYIRN-UHFFFAOYSA-N
XLogP0.23
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine?
The IUPAC name of 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine (CID 117188547) is 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine is CCn1c(N)cnc1CN1CCN(C)CC1.
What is the InChIKey of 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine?
The InChIKey is PZFJXPCGJDYIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-16-10(12)8-13-11(16)9-15-6-4-14(2)5-7-15/h8H,3-7,9,12H2,1-2H3.
What are the key properties of 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine?
3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(4-methylpiperazin-1-yl)methyl]imidazol-4-amine is sourced from PubChem (CID 117188547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).