2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide

C11H20N2O — CID 98119461

IUPAC2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C11H20N2O/c1-13(2)11(14)7-12-10-6-8-3-4-9(10)5-8/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyXQBHQUJHAHPGCX-OPRDCNLKSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds3

About 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide

2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide (PubChem CID 98119461) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
PubChem CID98119461
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C11H20N2O/c1-13(2)11(14)7-12-10-6-8-3-4-9(10)5-8/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyXQBHQUJHAHPGCX-OPRDCNLKSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
CID 61309137
ethyl 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]prop-2-enoate
CID 103254729
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
4-(2-bicyclo[2.2.1]heptanylamino)-3-methylbut-2-enoic acid
CID 103254707
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
3-(2-bicyclo[2.2.1]heptanyl)-1-ethyl-1-methylurea
CID 115642104
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-N,N-dimethylacetamide
CID 43224493
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
2-[[(2-bicyclo[2.2.1]heptanylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494418

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide (CID 98119461) is 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CN[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide?
The InChIKey is XQBHQUJHAHPGCX-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(2)11(14)7-12-10-6-8-3-4-9(10)5-8/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide?
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide has a molecular weight of 196.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 98119461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).