N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide

C16H30N2O — CID 112683498

IUPACN,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
SMILESCCN(CC)C(=O)CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H30N2O/c1-6-18(7-2)14(19)11-17-13-10-12-8-9-16(13,5)15(12,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyCWQBVCYPSUPLHK-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds5

About N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide

N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide (PubChem CID 112683498) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
PubChem CID112683498
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
SMILESCCN(CC)C(=O)CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C16H30N2O/c1-6-18(7-2)14(19)11-17-13-10-12-8-9-16(13,5)15(12,3)4/h12-13,17H,6-11H2,1-5H3
InChIKeyCWQBVCYPSUPLHK-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]acetamide
CID 24832217
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
ethyl 3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propanoate
CID 98076218
N-(cyanomethyl)-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 129393796
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
2-methyl-1-[[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 103894846
2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide
CID 114235522
N-(2,2-dimethylbutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103460678
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide (CID 112683498) is N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide is CCN(CC)C(=O)CNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
The InChIKey is CWQBVCYPSUPLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-18(7-2)14(19)11-17-13-10-12-8-9-16(13,5)15(12,3)4/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide has a molecular weight of 266.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide is sourced from PubChem (CID 112683498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).