1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine

C18H29N — CID 91539565

IUPAC1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine
SMILESCC1C2=C(C=CC(C)(C(C)C)C=C2)N(C)C(C)C1C
InChIInChI=1S/C18H29N/c1-12(2)18(6)10-8-16-14(4)13(3)15(5)19(7)17(16)9-11-18/h8-15H,1-7H3
InChIKeyBLFLDHZHUJLNDE-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.63
Rot. Bonds1

About 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine

1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine (PubChem CID 91539565) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine
PubChem CID91539565
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine
SMILESCC1C2=C(C=CC(C)(C(C)C)C=C2)N(C)C(C)C1C
InChIInChI=1S/C18H29N/c1-12(2)18(6)10-8-16-14(4)13(3)15(5)19(7)17(16)9-11-18/h8-15H,1-7H3
InChIKeyBLFLDHZHUJLNDE-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine?
The IUPAC name of 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine (CID 91539565) is 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine.
What is the SMILES notation for 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine?
The canonical SMILES for 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine is CC1C2=C(C=CC(C)(C(C)C)C=C2)N(C)C(C)C1C.
What is the InChIKey of 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine?
The InChIKey is BLFLDHZHUJLNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)18(6)10-8-16-14(4)13(3)15(5)19(7)17(16)9-11-18/h8-15H,1-7H3.
What are the key properties of 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine?
1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine has a molecular weight of 259.44 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7-pentamethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine is sourced from PubChem (CID 91539565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).