N-methylpiperidin-2-imine

C6H12N2 — CID 135458572

IUPACN-methylpiperidin-2-imine
SMILESC/N=C1\CCCCN1
InChIInChI=1S/C6H12N2/c1-7-6-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyCOYBWDBKVQRBJX-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.79
Rot. Bonds

About N-methylpiperidin-2-imine

N-methylpiperidin-2-imine (PubChem CID 135458572) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methylpiperidin-2-imine.

Molecular Properties

Compound NameN-methylpiperidin-2-imine
PubChem CID135458572
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methylpiperidin-2-imine
SMILESC/N=C1\CCCCN1
InChIInChI=1S/C6H12N2/c1-7-6-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyCOYBWDBKVQRBJX-UHFFFAOYSA-N
XLogP0.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylpiperidin-2-imine?
The IUPAC name of N-methylpiperidin-2-imine (CID 135458572) is N-methylpiperidin-2-imine.
What is the SMILES notation for N-methylpiperidin-2-imine?
The canonical SMILES for N-methylpiperidin-2-imine is C/N=C1\CCCCN1.
What is the InChIKey of N-methylpiperidin-2-imine?
The InChIKey is COYBWDBKVQRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-7-6-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8).
What are the key properties of N-methylpiperidin-2-imine?
N-methylpiperidin-2-imine has a molecular weight of 112.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpiperidin-2-imine is sourced from PubChem (CID 135458572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).