tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate

C15H28N2O2 — CID 82379476

IUPACtert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate
SMILESCC1C2CCCC2NCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-11-12-7-5-8-13(12)16-9-6-10-17(11)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyQJDOFJVNSIIUJI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.77
Rot. Bonds

About tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate

tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate (PubChem CID 82379476) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate
PubChem CID82379476
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate
SMILESCC1C2CCCC2NCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-11-12-7-5-8-13(12)16-9-6-10-17(11)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyQJDOFJVNSIIUJI-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate with MolForge

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Related Compounds

tert-butyl 2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine-4-carboxylate
CID 118488087
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxaline-1-carboxylate
CID 58110345
tert-butyl (3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 86332351
tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
CID 83851349
tert-butyl (3aS,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 147356037
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (1S,6S)-2,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 97110879
tert-butyl 8-methyl-1,2,3,4,4a,6,7,8,9,9a-decahydropyrido[3,2-b]azepine-5-carboxylate
CID 82667287
tert-butyl 4-methyl-1,5-diazocane-1-carboxylate
CID 82391173
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
tert-butyl (2S)-3-methoxy-2-methylpyrrolidine-1-carboxylate
CID 166870611
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate?
The IUPAC name of tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate (CID 82379476) is tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate is CC1C2CCCC2NCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate?
The InChIKey is QJDOFJVNSIIUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-12-7-5-8-13(12)16-9-6-10-17(11)14(18)19-15(2,3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate?
tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate is sourced from PubChem (CID 82379476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).