2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium

C14H18N+ — CID 91342098

IUPAC2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium
SMILESCC(C)C[n+]1ccc2c(c1)=CCC=CC=2
InChIInChI=1S/C14H18N/c1-12(2)10-15-9-8-13-6-4-3-5-7-14(13)11-15/h3-4,6-9,11-12H,5,10H2,1-2H3/q+1
InChIKeyMKHPXQRFUFECOC-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.15
Rot. Bonds2

About 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium

2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium (PubChem CID 91342098) has the molecular formula C14H18N+ and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium.

Molecular Properties

Compound Name2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium
PubChem CID91342098
Molecular FormulaC14H18N+
Molecular Weight200.30 g/mol
Exact Mass200.14
IUPAC Name2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium
SMILESCC(C)C[n+]1ccc2c(c1)=CCC=CC=2
InChIInChI=1S/C14H18N/c1-12(2)10-15-9-8-13-6-4-3-5-7-14(13)11-15/h3-4,6-9,11-12H,5,10H2,1-2H3/q+1
InChIKeyMKHPXQRFUFECOC-UHFFFAOYSA-N
XLogP1.15
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Cyclohepta[c]pyridine
CID 73761936
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyridine
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(3E,4Z)-3,4-di(ethylidene)pyridine
CID 88552850
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepyridine
CID 89028792
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
CID 89057468
(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
CID 89125599
4-methyl-6-[(2E,4E,6Z)-octa-2,4,6-trien-4-yl]-4H-azepine
CID 89308173
(3E)-4-methylidene-3-(4-methylpent-1-en-3-ylidene)pyridine
CID 89533738
3-Ethylidene-4-methylidenepyridine
CID 90871730
3,5-Di(propan-2-yl)-1-azacyclohepta-1,3,5,6-tetraene
CID 91147821
5-Methyl-7-(1-methyl-6-methylidene-3-pyridinyl)-4,5-dihydroazocine
CID 91516061

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium?
The IUPAC name of 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium (CID 91342098) is 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium.
What is the SMILES notation for 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium?
The canonical SMILES for 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium is CC(C)C[n+]1ccc2c(c1)=CCC=CC=2.
What is the InChIKey of 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium?
The InChIKey is MKHPXQRFUFECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N/c1-12(2)10-15-9-8-13-6-4-3-5-7-14(13)11-15/h3-4,6-9,11-12H,5,10H2,1-2H3/q+1.
What are the key properties of 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium?
2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium has a molecular weight of 200.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8H-cyclohepta[c]pyridin-2-ium is sourced from PubChem (CID 91342098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).