2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide

C11H21N3O — CID 138497139

IUPAC2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC=NC(C)(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-11(2,12-3)10(15)13-9-5-7-14(4)8-6-9/h9H,3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyQAOXLKKBYHXXPG-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide

2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 138497139) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID138497139
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC=NC(C)(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-11(2,12-3)10(15)13-9-5-7-14(4)8-6-9/h9H,3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyQAOXLKKBYHXXPG-UHFFFAOYSA-N
XLogP0.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide (CID 138497139) is 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide is C=NC(C)(C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is QAOXLKKBYHXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,12-3)10(15)13-9-5-7-14(4)8-6-9/h9H,3,5-8H2,1-2,4H3,(H,13,15).
What are the key properties of 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide?
2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 211.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 138497139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).