2-cycloheptyl-1,2-dihydropyridine

C12H19N — CID 173279026

IUPAC2-cycloheptyl-1,2-dihydropyridine
SMILESC1=CNC(C2CCCCCC2)C=C1
InChIInChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h5-6,9-13H,1-4,7-8H2
InChIKeyXWFRBHXWJUGXCM-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.00
Rot. Bonds1

About 2-cycloheptyl-1,2-dihydropyridine

2-cycloheptyl-1,2-dihydropyridine (PubChem CID 173279026) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-cycloheptyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-cycloheptyl-1,2-dihydropyridine
PubChem CID173279026
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-cycloheptyl-1,2-dihydropyridine
SMILESC1=CNC(C2CCCCCC2)C=C1
InChIInChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h5-6,9-13H,1-4,7-8H2
InChIKeyXWFRBHXWJUGXCM-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Methylpropyl)-3,5-di-methylethyl-1,2-dihydropyridine
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2-(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)-3-methyl-1,2-dihydropyridine
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2-cycloheptyl-2,3-dihydro-1H-pyrrole
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4,5,5a,9a-tetrahydro-1H-1-benzazepine
CID 22397668
N-ethenyl-4,6-dimethylcyclohex-3-en-1-amine
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2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine
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(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine
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1,2,3,3a,4,5,5a,6-Octahydropyrrolo[2,3-g][1]benzazepine
CID 67205591
2-[1-(1,2-Dihydropyridin-2-yl)decyl]-1,2-dihydropyridine
CID 67427103
[2-(cyclohexylmethyl)-1H-pyridin-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1,2-dihydropyridine?
The IUPAC name of 2-cycloheptyl-1,2-dihydropyridine (CID 173279026) is 2-cycloheptyl-1,2-dihydropyridine.
What is the SMILES notation for 2-cycloheptyl-1,2-dihydropyridine?
The canonical SMILES for 2-cycloheptyl-1,2-dihydropyridine is C1=CNC(C2CCCCCC2)C=C1.
What is the InChIKey of 2-cycloheptyl-1,2-dihydropyridine?
The InChIKey is XWFRBHXWJUGXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h5-6,9-13H,1-4,7-8H2.
What are the key properties of 2-cycloheptyl-1,2-dihydropyridine?
2-cycloheptyl-1,2-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1,2-dihydropyridine is sourced from PubChem (CID 173279026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).