N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide

C15H28N2O — CID 14627

IUPACN,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCC(C(=O)N(C)C)N1CC2CCC(C)(C1)C2(C)C
InChIInChI=1S/C15H28N2O/c1-11(13(18)16(5)6)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3
InChIKeyVINAYOIVXYTYAU-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.22
Rot. Bonds2

About N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide

N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 14627) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID14627
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCC(C(=O)N(C)C)N1CC2CCC(C)(C1)C2(C)C
InChIInChI=1S/C15H28N2O/c1-11(13(18)16(5)6)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3
InChIKeyVINAYOIVXYTYAU-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 14627) is N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide is CC(C(=O)N(C)C)N1CC2CCC(C)(C1)C2(C)C.
What is the InChIKey of N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is VINAYOIVXYTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(13(18)16(5)6)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide?
N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 252.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 14627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).