N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde

C20H35N5O2 — CID 169216916

IUPACN-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde
SMILESCNCC1CC2(C1)CN(CC(=O)NC(C)(C)C)C2.Cc1cc(C=O)n(C)n1
InChIInChI=1S/C14H27N3O.C6H8N2O/c1-13(2,3)16-12(18)8-17-9-14(10-17)5-11(6-14)7-15-4;1-5-3-6(4-9)8(2)7-5/h11,15H,5-10H2,1-4H3,(H,16,18);3-4H,1-2H3
InChIKeyRMNJOXYJIYSNEN-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.37
Rot. Bonds5

About N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde

N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde (PubChem CID 169216916) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde.

Molecular Properties

Compound NameN-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde
PubChem CID169216916
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC NameN-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde
SMILESCNCC1CC2(C1)CN(CC(=O)NC(C)(C)C)C2.Cc1cc(C=O)n(C)n1
InChIInChI=1S/C14H27N3O.C6H8N2O/c1-13(2,3)16-12(18)8-17-9-14(10-17)5-11(6-14)7-15-4;1-5-3-6(4-9)8(2)7-5/h11,15H,5-10H2,1-4H3,(H,16,18);3-4H,1-2H3
InChIKeyRMNJOXYJIYSNEN-UHFFFAOYSA-N
XLogP1.37
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde?
The IUPAC name of N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde (CID 169216916) is N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde.
What is the SMILES notation for N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde?
The canonical SMILES for N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde is CNCC1CC2(C1)CN(CC(=O)NC(C)(C)C)C2.Cc1cc(C=O)n(C)n1.
What is the InChIKey of N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde?
The InChIKey is RMNJOXYJIYSNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C6H8N2O/c1-13(2,3)16-12(18)8-17-9-14(10-17)5-11(6-14)7-15-4;1-5-3-6(4-9)8(2)7-5/h11,15H,5-10H2,1-4H3,(H,16,18);3-4H,1-2H3.
What are the key properties of N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde?
N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde has a molecular weight of 377.53 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde is sourced from PubChem (CID 169216916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).