2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide

C12H24N4O — CID 111034623

IUPAC2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)C/N=C(\N)N1CCCCC1
InChIInChI=1S/C12H24N4O/c1-12(2,3)15-10(17)9-14-11(13)16-7-5-4-6-8-16/h4-9H2,1-3H3,(H2,13,14)(H,15,17)
InChIKeyDMPOFBZLNJMNQA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.70
Rot. Bonds2

About 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide

2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide (PubChem CID 111034623) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
PubChem CID111034623
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)C/N=C(\N)N1CCCCC1
InChIInChI=1S/C12H24N4O/c1-12(2,3)15-10(17)9-14-11(13)16-7-5-4-6-8-16/h4-9H2,1-3H3,(H2,13,14)(H,15,17)
InChIKeyDMPOFBZLNJMNQA-UHFFFAOYSA-N
XLogP0.70
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
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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Related Compounds

2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 111859823
2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
CID 113293325
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
CID 75421284
2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819691
N-tert-butyl-2-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]acetamide
CID 111366235
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 115609267
N'-(2-methoxy-3,3-dimethylbutyl)piperidine-1-carboximidamide
CID 111757989

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide (CID 111034623) is 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)C/N=C(\N)N1CCCCC1.
What is the InChIKey of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is DMPOFBZLNJMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12(2,3)15-10(17)9-14-11(13)16-7-5-4-6-8-16/h4-9H2,1-3H3,(H2,13,14)(H,15,17).
What are the key properties of 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide?
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 240.35 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide is sourced from PubChem (CID 111034623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).