2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine

C18H31N — CID 123916826

IUPAC2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine
SMILESCCC(C)C1=NC2=C(CC(C)C(C)CC2)C(C)C1C
InChIInChI=1S/C18H31N/c1-7-11(2)18-15(6)14(5)16-10-13(4)12(3)8-9-17(16)19-18/h11-15H,7-10H2,1-6H3
InChIKeyPOKLVEPEASWBMO-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.47
Rot. Bonds2

About 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine

2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine (PubChem CID 123916826) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine
PubChem CID123916826
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine
SMILESCCC(C)C1=NC2=C(CC(C)C(C)CC2)C(C)C1C
InChIInChI=1S/C18H31N/c1-7-11(2)18-15(6)14(5)16-10-13(4)12(3)8-9-17(16)19-18/h11-15H,7-10H2,1-6H3
InChIKeyPOKLVEPEASWBMO-UHFFFAOYSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine with MolForge

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Related Compounds

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2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
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2,2,4-Trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridine
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(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine
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15,16-Dimethyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
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15-Ethyl-16-methyl-14-azabicyclo[11.3.0]hexadeca-1(13),14-diene
CID 70828426
2,3,4,5,6-Pentamethyl-3,4-dihydropyridine
CID 72655828
2,3,4,4,5,6-Hexamethyl-3-pentylpyridine
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3,4,5-trimethyl-2-(3-methylpentan-2-yl)-3H-pyrrole
CID 90310491
3,4,5,6-Tetraoctadecyl-3,4-dihydropyridine
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6-Ethyl-5-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 123617444

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine?
The IUPAC name of 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine (CID 123916826) is 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine?
The canonical SMILES for 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine is CCC(C)C1=NC2=C(CC(C)C(C)CC2)C(C)C1C.
What is the InChIKey of 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine?
The InChIKey is POKLVEPEASWBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-11(2)18-15(6)14(5)16-10-13(4)12(3)8-9-17(16)19-18/h11-15H,7-10H2,1-6H3.
What are the key properties of 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine?
2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine has a molecular weight of 261.45 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3,4,6,7-tetramethyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[b]pyridine is sourced from PubChem (CID 123916826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).