N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide

C15H26N6O — CID 166263847

IUPACN-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide
SMILESCC(C)(C)n1nnc(C(=O)NC23CCCCCC2NCC3)n1
InChIInChI=1S/C15H26N6O/c1-14(2,3)21-19-12(18-20-21)13(22)17-15-8-6-4-5-7-11(15)16-10-9-15/h11,16H,4-10H2,1-3H3,(H,17,22)
InChIKeyCYDBVUQFXUAELL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.22
Rot. Bonds2

About N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide

N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide (PubChem CID 166263847) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide
PubChem CID166263847
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide
SMILESCC(C)(C)n1nnc(C(=O)NC23CCCCCC2NCC3)n1
InChIInChI=1S/C15H26N6O/c1-14(2,3)21-19-12(18-20-21)13(22)17-15-8-6-4-5-7-11(15)16-10-9-15/h11,16H,4-10H2,1-3H3,(H,17,22)
InChIKeyCYDBVUQFXUAELL-UHFFFAOYSA-N
XLogP1.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyl-2H-1,2,3,4-tetrazol-2-yl)acetamide
CID 155820475

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide?
The IUPAC name of N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide (CID 166263847) is N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide.
What is the SMILES notation for N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide?
The canonical SMILES for N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide is CC(C)(C)n1nnc(C(=O)NC23CCCCCC2NCC3)n1.
What is the InChIKey of N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide?
The InChIKey is CYDBVUQFXUAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-14(2,3)21-19-12(18-20-21)13(22)17-15-8-6-4-5-7-11(15)16-10-9-15/h11,16H,4-10H2,1-3H3,(H,17,22).
What are the key properties of N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide?
N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide is sourced from PubChem (CID 166263847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).