1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide

C19H33N5O2 — CID 120751621

IUPAC1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(C)N(Cc2noc(CN)n2)C2CCCCC12
InChIInChI=1S/C19H33N5O2/c1-4-12(2)21-19(25)15-9-13(3)24(16-8-6-5-7-14(15)16)11-17-22-18(10-20)26-23-17/h12-16H,4-11,20H2,1-3H3,(H,21,25)
InChIKeyKCIJCSFZCWTIBW-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.21
Rot. Bonds6

About 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide (PubChem CID 120751621) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide
PubChem CID120751621
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(C)N(Cc2noc(CN)n2)C2CCCCC12
InChIInChI=1S/C19H33N5O2/c1-4-12(2)21-19(25)15-9-13(3)24(16-8-6-5-7-14(15)16)11-17-22-18(10-20)26-23-17/h12-16H,4-11,20H2,1-3H3,(H,21,25)
InChIKeyKCIJCSFZCWTIBW-UHFFFAOYSA-N
XLogP2.21
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide?
The IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide (CID 120751621) is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide?
The canonical SMILES for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide is CCC(C)NC(=O)C1CC(C)N(Cc2noc(CN)n2)C2CCCCC12.
What is the InChIKey of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide?
The InChIKey is KCIJCSFZCWTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-4-12(2)21-19(25)15-9-13(3)24(16-8-6-5-7-14(15)16)11-17-22-18(10-20)26-23-17/h12-16H,4-11,20H2,1-3H3,(H,21,25).
What are the key properties of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide?
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-butan-2-yl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 120751621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).