N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine

C12H23N5 — CID 63031421

IUPACN-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CCNCc2cncn2C)CC1
InChIInChI=1S/C12H23N5/c1-15-5-7-17(8-6-15)4-3-13-9-12-10-14-11-16(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyFJEGGSHPTLYNQA-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.24
Rot. Bonds5

About N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine

N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 63031421) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID63031421
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CCNCc2cncn2C)CC1
InChIInChI=1S/C12H23N5/c1-15-5-7-17(8-6-15)4-3-13-9-12-10-14-11-16(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyFJEGGSHPTLYNQA-UHFFFAOYSA-N
XLogP-0.24
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine (CID 63031421) is N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(CCNCc2cncn2C)CC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is FJEGGSHPTLYNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-15-5-7-17(8-6-15)4-3-13-9-12-10-14-11-16(12)2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine?
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63031421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).