2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide

C16H30N2O2 — CID 155875003

IUPAC2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCCCC(C)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-5-6-12(2)18-8-7-14-13(10-18)11-20-15(14)9-16(19)17(3)4/h12-15H,5-11H2,1-4H3/t12?,13-,14-,15+/m1/s1
InChIKeyHIBIMGCIFNHSLV-NUDNTCICSA-N
MW282.43 g/mol
LogP1.99
Rot. Bonds5

About 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 155875003) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID155875003
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCCCC(C)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-5-6-12(2)18-8-7-14-13(10-18)11-20-15(14)9-16(19)17(3)4/h12-15H,5-11H2,1-4H3/t12?,13-,14-,15+/m1/s1
InChIKeyHIBIMGCIFNHSLV-NUDNTCICSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475503
2-[(1S,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475451
2-[(1S,3aR,7aR)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 131685552
2-[(1R,3aR,7aR)-5-[(4-chloro-3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475452
2-[(1R,3aR,7aR)-5-[(2-chlorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843038
3-chloro-1-pentan-2-ylpyrrolidine
CID 107887380
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115313863
2-[(1S,3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
CID 131685766
propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate
CID 142960117
(3R,5S)-1-pentan-2-ylpiperidine-3,5-diol
CID 130627833

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 155875003) is 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide is CCCC(C)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N(C)C)C1.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is HIBIMGCIFNHSLV-NUDNTCICSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-6-12(2)18-8-7-14-13(10-18)11-20-15(14)9-16(19)17(3)4/h12-15H,5-11H2,1-4H3/t12?,13-,14-,15+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 282.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-pentan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 155875003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).