N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine

C8H17N3 — CID 58528663

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]methanimine
SMILESC=NCCN1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-9-3-4-11-7-5-10(2)6-8-11/h1,3-8H2,2H3
InChIKeyGJVAQRMIGSHZHZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.07
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine

N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine (PubChem CID 58528663) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]methanimine
PubChem CID58528663
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]methanimine
SMILESC=NCCN1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-9-3-4-11-7-5-10(2)6-8-11/h1,3-8H2,2H3
InChIKeyGJVAQRMIGSHZHZ-UHFFFAOYSA-N
XLogP-0.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine (CID 58528663) is N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine is C=NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine?
The InChIKey is GJVAQRMIGSHZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-9-3-4-11-7-5-10(2)6-8-11/h1,3-8H2,2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine?
N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine has a molecular weight of 155.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]methanimine is sourced from PubChem (CID 58528663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).