methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine

C7H16N4 — CID 161152022

IUPACmethane;N-[4-(methylideneamino)piperazin-1-yl]methanimine
SMILESC.C=NN1CCN(N=C)CC1
InChIInChI=1S/C6H12N4.CH4/c1-7-9-3-5-10(8-2)6-4-9;/h1-6H2;1H4
InChIKeyUOUQQQKWRWETOC-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.47
Rot. Bonds2

About methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine

methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine (PubChem CID 161152022) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine.

Molecular Properties

Compound Namemethane;N-[4-(methylideneamino)piperazin-1-yl]methanimine
PubChem CID161152022
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Namemethane;N-[4-(methylideneamino)piperazin-1-yl]methanimine
SMILESC.C=NN1CCN(N=C)CC1
InChIInChI=1S/C6H12N4.CH4/c1-7-9-3-5-10(8-2)6-4-9;/h1-6H2;1H4
InChIKeyUOUQQQKWRWETOC-UHFFFAOYSA-N
XLogP0.47
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine?
The IUPAC name of methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine (CID 161152022) is methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine.
What is the SMILES notation for methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine?
The canonical SMILES for methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine is C.C=NN1CCN(N=C)CC1.
What is the InChIKey of methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine?
The InChIKey is UOUQQQKWRWETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.CH4/c1-7-9-3-5-10(8-2)6-4-9;/h1-6H2;1H4.
What are the key properties of methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine?
methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine has a molecular weight of 156.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[4-(methylideneamino)piperazin-1-yl]methanimine is sourced from PubChem (CID 161152022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).