2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide

C13H24N2O2 — CID 65295630

IUPAC2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
SMILESCCOC1CC(NCC(=O)N(C)C)C12CCC2
InChIInChI=1S/C13H24N2O2/c1-4-17-11-8-10(13(11)6-5-7-13)14-9-12(16)15(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyCKPGGBBZFWLLRJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds5

About 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide

2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide (PubChem CID 65295630) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
PubChem CID65295630
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
SMILESCCOC1CC(NCC(=O)N(C)C)C12CCC2
InChIInChI=1S/C13H24N2O2/c1-4-17-11-8-10(13(11)6-5-7-13)14-9-12(16)15(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyCKPGGBBZFWLLRJ-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-ethylacetamide
CID 64864422
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-1,1-dimethylurea
CID 83117181
N-tert-butyl-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
CID 115356121
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115905391
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide (CID 65295630) is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide is CCOC1CC(NCC(=O)N(C)C)C12CCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide?
The InChIKey is CKPGGBBZFWLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-17-11-8-10(13(11)6-5-7-13)14-9-12(16)15(2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide?
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 65295630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).