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

C9H17N3 — CID 63178629

IUPACcyclopropyl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCN(C)CC1
InChIInChI=1S/C9H17N3/c1-11-4-6-12(7-5-11)9(10)8-2-3-8/h8,10H,2-7H2,1H3/b10-9+
InChIKeyMEEPULYUXHUVHL-MDZDMXLPSA-N
MW167.26 g/mol
LogP0.62
Rot. Bonds1

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

cyclopropyl-(4-methylpiperazin-1-yl)methanimine (PubChem CID 63178629) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is cyclopropyl-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(4-methylpiperazin-1-yl)methanimine
PubChem CID63178629
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Namecyclopropyl-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCN(C)CC1
InChIInChI=1S/C9H17N3/c1-11-4-6-12(7-5-11)9(10)8-2-3-8/h8,10H,2-7H2,1H3/b10-9+
InChIKeyMEEPULYUXHUVHL-MDZDMXLPSA-N
XLogP0.62
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.62
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of cyclopropyl-(4-methylpiperazin-1-yl)methanimine (CID 63178629) is cyclopropyl-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for cyclopropyl-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for cyclopropyl-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(\C1CC1)N1CCN(C)CC1.
What is the InChIKey of cyclopropyl-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is MEEPULYUXHUVHL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-4-6-12(7-5-11)9(10)8-2-3-8/h8,10H,2-7H2,1H3/b10-9+.
What are the key properties of cyclopropyl-(4-methylpiperazin-1-yl)methanimine?
cyclopropyl-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 167.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 63178629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).