3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C16H25N — CID 166956382

IUPAC3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCCCC(CC)c1cnc2c(c1)CCCCC2
InChIInChI=1S/C16H25N/c1-3-8-13(4-2)15-11-14-9-6-5-7-10-16(14)17-12-15/h11-13H,3-10H2,1-2H3
InChIKeyWBMNVLSUDFKKEW-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.64
Rot. Bonds4

About 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 166956382) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID166956382
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCCCC(CC)c1cnc2c(c1)CCCCC2
InChIInChI=1S/C16H25N/c1-3-8-13(4-2)15-11-14-9-6-5-7-10-16(14)17-12-15/h11-13H,3-10H2,1-2H3
InChIKeyWBMNVLSUDFKKEW-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Prothionamide
CID 666418
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2,4-Dimethylpyridine
CID 7936

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 166956382) is 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is CCCC(CC)c1cnc2c(c1)CCCCC2.
What is the InChIKey of 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is WBMNVLSUDFKKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-8-13(4-2)15-11-14-9-6-5-7-10-16(14)17-12-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 231.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 166956382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).