cyclobutyl-(4-methylpiperazin-1-yl)methanimine

C10H19N3 — CID 64985856

IUPACcyclobutyl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1CCC1)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-12-5-7-13(8-6-12)10(11)9-3-2-4-9/h9,11H,2-8H2,1H3/b11-10+
InChIKeyNUEKGASRUCNGTM-ZHACJKMWSA-N
MW181.28 g/mol
LogP1.01
Rot. Bonds1

About cyclobutyl-(4-methylpiperazin-1-yl)methanimine

cyclobutyl-(4-methylpiperazin-1-yl)methanimine (PubChem CID 64985856) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclobutyl-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Namecyclobutyl-(4-methylpiperazin-1-yl)methanimine
PubChem CID64985856
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Namecyclobutyl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1CCC1)N1CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-12-5-7-13(8-6-12)10(11)9-3-2-4-9/h9,11H,2-8H2,1H3/b11-10+
InChIKeyNUEKGASRUCNGTM-ZHACJKMWSA-N
XLogP1.01
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze cyclobutyl-(4-methylpiperazin-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of cyclobutyl-(4-methylpiperazin-1-yl)methanimine (CID 64985856) is cyclobutyl-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for cyclobutyl-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for cyclobutyl-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(\C1CCC1)N1CCN(C)CC1.
What is the InChIKey of cyclobutyl-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is NUEKGASRUCNGTM-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c1-12-5-7-13(8-6-12)10(11)9-3-2-4-9/h9,11H,2-8H2,1H3/b11-10+.
What are the key properties of cyclobutyl-(4-methylpiperazin-1-yl)methanimine?
cyclobutyl-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 181.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 64985856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).