3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide

C13H25N3O — CID 3494331

IUPAC3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
SMILESCC(C)CC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-10(2)9-13(17)15-14-12-5-7-16(8-6-12)11(3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyHLNLJKMSLGAQKG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.01
Rot. Bonds4

About 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide

3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide (PubChem CID 3494331) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
PubChem CID3494331
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
SMILESCC(C)CC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-10(2)9-13(17)15-14-12-5-7-16(8-6-12)11(3)4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyHLNLJKMSLGAQKG-UHFFFAOYSA-N
XLogP2.01
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide (CID 3494331) is 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide is CC(C)CC(=O)NN=C1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
The InChIKey is HLNLJKMSLGAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)9-13(17)15-14-12-5-7-16(8-6-12)11(3)4/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide has a molecular weight of 239.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide is sourced from PubChem (CID 3494331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).