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

C6H13N3 — CID 54113862

IUPACN-(4-methylpiperazin-1-yl)methanimine
SMILESC=NN1CCN(C)CC1
InChIInChI=1S/C6H13N3/c1-7-9-5-3-8(2)4-6-9/h1,3-6H2,2H3
InChIKeyCJUFIFVTYJSROY-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.15
Rot. Bonds1

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

N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 54113862) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)methanimine
PubChem CID54113862
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-(4-methylpiperazin-1-yl)methanimine
SMILESC=NN1CCN(C)CC1
InChIInChI=1S/C6H13N3/c1-7-9-5-3-8(2)4-6-9/h1,3-6H2,2H3
InChIKeyCJUFIFVTYJSROY-UHFFFAOYSA-N
XLogP-0.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-methylidenepiperazin-4-ium
CID 21537313
4-Ethylpiperazineisothiocyanate
CID 129831179
(E)-N-(4-methylpiperazin-1-yl)ethanimine
CID 18726847
N,N,4-Trimethylpiperazin-1-amine
CID 20479150
CID 59873760
CID 59873760
N-[4-(methylideneamino)piperazin-1-yl]methanimine
CID 59998632
(Z)-N-(4-methylpiperazin-1-yl)ethanimine
CID 67990822
N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine
CID 88939852
N-(4-ethylpiperazin-1-yl)methanimine
CID 155155174
methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine
CID 161152022
1-Methylidene-4-(trideuteriomethyl)piperazin-1-ium
CID 177070585
1-(Deuteriomethyl)-4-methylidenepiperazin-4-ium
CID 177070592

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of N-(4-methylpiperazin-1-yl)methanimine (CID 54113862) is N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)methanimine is C=NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is CJUFIFVTYJSROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-9-5-3-8(2)4-6-9/h1,3-6H2,2H3.
What are the key properties of N-(4-methylpiperazin-1-yl)methanimine?
N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 127.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 54113862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).