N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C10H19N3O — CID 45110665

IUPACN-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCCNC(=O)N1CC2CCC(C1)NC2
InChIInChI=1S/C10H19N3O/c1-2-11-10(14)13-6-8-3-4-9(7-13)12-5-8/h8-9,12H,2-7H2,1H3,(H,11,14)
InChIKeySJXQNPWMJJBUJB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.40
Rot. Bonds1

About N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 45110665) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID45110665
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCCNC(=O)N1CC2CCC(C1)NC2
InChIInChI=1S/C10H19N3O/c1-2-11-10(14)13-6-8-3-4-9(7-13)12-5-8/h8-9,12H,2-7H2,1H3,(H,11,14)
InChIKeySJXQNPWMJJBUJB-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, 1-(2-(3-azabicyclo(3.2.2)nonan-3-yl)ethyl)-3-methyl-
CID 377683
N-Ethyl-2-[(4-methylpiperidin-1-YL)methyl]azepane-1-carboxamide
CID 124042363
2-[(4-Methylpiperidin-1-YL)methyl]-N-propylazepane-1-carboxamide
CID 124072896
1-[2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 60569589
N-propyl-3-(2,2,2-trifluoroacetyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 87497858
3-(azepan-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 53622953
1-[2-(4-Methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one
CID 20684946
1-(3,6-Diazabicyclo[3.2.2]non-3-yl)ethanone
CID 45110529
1-(3,6-Diazabicyclo[3.2.2]nonan-3-yl)propan-1-one
CID 45110532
1-(3,6-Diazabicyclo[3.2.2]nonan-3-yl)butan-1-one
CID 45110533
N-methyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 45110664
N-propyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 45110795

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 45110665) is N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CCNC(=O)N1CC2CCC(C1)NC2.
What is the InChIKey of N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is SJXQNPWMJJBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-11-10(14)13-6-8-3-4-9(7-13)12-5-8/h8-9,12H,2-7H2,1H3,(H,11,14).
What are the key properties of N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 45110665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).