3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine

C16H23N — CID 129309696

IUPAC3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine
SMILESCC(C)C1(C)C=NC2=CC=CC(C)(C)C=C2C1
InChIInChI=1S/C16H23N/c1-12(2)16(5)10-13-9-15(3,4)8-6-7-14(13)17-11-16/h6-9,11-12H,10H2,1-5H3
InChIKeyOJPXDDUSVDXUSS-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.53
Rot. Bonds1

About 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine

3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine (PubChem CID 129309696) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine
PubChem CID129309696
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine
SMILESCC(C)C1(C)C=NC2=CC=CC(C)(C)C=C2C1
InChIInChI=1S/C16H23N/c1-12(2)16(5)10-13-9-15(3,4)8-6-7-14(13)17-11-16/h6-9,11-12H,10H2,1-5H3
InChIKeyOJPXDDUSVDXUSS-UHFFFAOYSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine?
The IUPAC name of 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine (CID 129309696) is 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine.
What is the SMILES notation for 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine?
The canonical SMILES for 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine is CC(C)C1(C)C=NC2=CC=CC(C)(C)C=C2C1.
What is the InChIKey of 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine?
The InChIKey is OJPXDDUSVDXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)16(5)10-13-9-15(3,4)8-6-7-14(13)17-11-16/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine?
3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine has a molecular weight of 229.37 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-3-propan-2-yl-4H-cyclohepta[b]pyridine is sourced from PubChem (CID 129309696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).