N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide

C15H28N2O — CID 176871315

IUPACN-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](CN1C[C@H]2CC[C@@H]1C2)C(C)C
InChIInChI=1S/C15H28N2O/c1-10(2)14(16-15(18)11(3)4)9-17-8-12-5-6-13(17)7-12/h10-14H,5-9H2,1-4H3,(H,16,18)/t12-,13+,14+/m0/s1
InChIKeyGFRONTIIFMWQBI-BFHYXJOUSA-N
MW252.40 g/mol
LogP2.27
Rot. Bonds5

About N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide

N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide (PubChem CID 176871315) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide
PubChem CID176871315
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H](CN1C[C@H]2CC[C@@H]1C2)C(C)C
InChIInChI=1S/C15H28N2O/c1-10(2)14(16-15(18)11(3)4)9-17-8-12-5-6-13(17)7-12/h10-14H,5-9H2,1-4H3,(H,16,18)/t12-,13+,14+/m0/s1
InChIKeyGFRONTIIFMWQBI-BFHYXJOUSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoropropan-2-ol
CID 131005722
2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
CID 163271288
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-bromopropan-2-ol
CID 112561422
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid
CID 63054817
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
CID 63930034
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide
CID 63054642
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide (CID 176871315) is N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H](CN1C[C@H]2CC[C@@H]1C2)C(C)C.
What is the InChIKey of N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
The InChIKey is GFRONTIIFMWQBI-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10(2)14(16-15(18)11(3)4)9-17-8-12-5-6-13(17)7-12/h10-14H,5-9H2,1-4H3,(H,16,18)/t12-,13+,14+/m0/s1.
What are the key properties of N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide?
N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 176871315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).