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

C6H12N4 — CID 59998632

IUPACN-[4-(methylideneamino)piperazin-1-yl]methanimine
SMILESC=NN1CCN(N=C)CC1
InChIInChI=1S/C6H12N4/c1-7-9-3-5-10(8-2)6-4-9/h1-6H2
InChIKeyMAUVQXYPVXJALK-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.16
Rot. Bonds2

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

N-[4-(methylideneamino)piperazin-1-yl]methanimine (PubChem CID 59998632) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[4-(methylideneamino)piperazin-1-yl]methanimine.

Molecular Properties

Compound NameN-[4-(methylideneamino)piperazin-1-yl]methanimine
PubChem CID59998632
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-[4-(methylideneamino)piperazin-1-yl]methanimine
SMILESC=NN1CCN(N=C)CC1
InChIInChI=1S/C6H12N4/c1-7-9-3-5-10(8-2)6-4-9/h1-6H2
InChIKeyMAUVQXYPVXJALK-UHFFFAOYSA-N
XLogP-0.16
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.16
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 N-[4-(methylideneamino)piperazin-1-yl]methanimine?
The IUPAC name of N-[4-(methylideneamino)piperazin-1-yl]methanimine (CID 59998632) is N-[4-(methylideneamino)piperazin-1-yl]methanimine.
What is the SMILES notation for N-[4-(methylideneamino)piperazin-1-yl]methanimine?
The canonical SMILES for N-[4-(methylideneamino)piperazin-1-yl]methanimine is C=NN1CCN(N=C)CC1.
What is the InChIKey of N-[4-(methylideneamino)piperazin-1-yl]methanimine?
The InChIKey is MAUVQXYPVXJALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-7-9-3-5-10(8-2)6-4-9/h1-6H2.
What are the key properties of N-[4-(methylideneamino)piperazin-1-yl]methanimine?
N-[4-(methylideneamino)piperazin-1-yl]methanimine has a molecular weight of 140.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylideneamino)piperazin-1-yl]methanimine is sourced from PubChem (CID 59998632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).