N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide

C14H24N2O — CID 142135032

IUPACN-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC2CCCCC2=CN1
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h9-10,12,15H,4-8H2,1-3H3,(H,16,17)
InChIKeySOGDWQPGBHNKLS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.34
Rot. Bonds1

About N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide

N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide (PubChem CID 142135032) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide
PubChem CID142135032
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC2CCCCC2=CN1
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h9-10,12,15H,4-8H2,1-3H3,(H,16,17)
InChIKeySOGDWQPGBHNKLS-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(2R,4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 58011217
(3S,4aS,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
CID 688323
(2S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 10977514
N-tert-butylcyclooctanecarboxamide
CID 65022804
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
1-(2,3,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulen-2-yl)ethanone
CID 20659560
N-[2-(tert-butylamino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43515209
(2S)-N-tert-butylpyrrolidin-1-ium-2-carboxamide
CID 42148489
2-N-tert-butylcyclohexane-1,2-dicarboxamide
CID 82041026
2-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
CID 61261305
4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 139537113
N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373922

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide (CID 142135032) is N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide is CC(C)(C)NC(=O)C1CC2CCCCC2=CN1.
What is the InChIKey of N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide?
The InChIKey is SOGDWQPGBHNKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h9-10,12,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide?
N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 142135032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).