N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide

C9H17N3O — CID 144817633

IUPACN-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide
SMILESC/C(N)=N\C(=O)C1CCCCN1C
InChIInChI=1S/C9H17N3O/c1-7(10)11-9(13)8-5-3-4-6-12(8)2/h8H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyOLBGOHDBUXLPIV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.37
Rot. Bonds1

About N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide

N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide (PubChem CID 144817633) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide
PubChem CID144817633
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide
SMILESC/C(N)=N\C(=O)C1CCCCN1C
InChIInChI=1S/C9H17N3O/c1-7(10)11-9(13)8-5-3-4-6-12(8)2/h8H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyOLBGOHDBUXLPIV-UHFFFAOYSA-N
XLogP0.37
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide (CID 144817633) is N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide is C/C(N)=N\C(=O)C1CCCCN1C.
What is the InChIKey of N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide?
The InChIKey is OLBGOHDBUXLPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(10)11-9(13)8-5-3-4-6-12(8)2/h8H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide?
N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 144817633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).