2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

C14H27N — CID 137457040

IUPAC2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESCC(C)(C)C1CCC2CCCCCC2N1
InChIInChI=1S/C14H27N/c1-14(2,3)13-10-9-11-7-5-4-6-8-12(11)15-13/h11-13,15H,4-10H2,1-3H3
InChIKeyLRHMWNWZLZEBGZ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds

About 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (PubChem CID 137457040) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
PubChem CID137457040
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
SMILESCC(C)(C)C1CCC2CCCCCC2N1
InChIInChI=1S/C14H27N/c1-14(2,3)13-10-9-11-7-5-4-6-8-12(11)15-13/h11-13,15H,4-10H2,1-3H3
InChIKeyLRHMWNWZLZEBGZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine with MolForge

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Related Compounds

2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 82413509
2-cycloheptyl-6-(trifluoromethyl)piperidine
CID 106781025
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 5242210
1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine
CID 134524957
(8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 58883048
(4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 15555472
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2-methylpropan-2-amine
CID 66470012
2-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 42608910
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
(2R,4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 58011217
1-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]-3,3-dimethylbutan-1-one
CID 157455031
(2S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 10977514

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The IUPAC name of 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine (CID 137457040) is 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The canonical SMILES for 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is CC(C)(C)C1CCC2CCCCCC2N1.
What is the InChIKey of 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
The InChIKey is LRHMWNWZLZEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-14(2,3)13-10-9-11-7-5-4-6-8-12(11)15-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine?
2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 137457040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).