[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide

C14H17N3 — CID 87288239

IUPAC[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide
SMILES[N-]=[N+]1C2CCCC23CC[C@@]1(c1cccnc1)C3
InChIInChI=1S/C14H17N3/c15-17-12-4-1-5-13(12)6-7-14(17,10-13)11-3-2-8-16-9-11/h2-3,8-9,12H,1,4-7,10H2/t12?,13?,14-/m0/s1
InChIKeyAJRGHQBKCCKTAQ-RUXDESIVSA-N
MW227.31 g/mol
LogP3.05
Rot. Bonds1

About [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide

[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide (PubChem CID 87288239) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide.

Molecular Properties

Compound Name[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide
PubChem CID87288239
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide
SMILES[N-]=[N+]1C2CCCC23CC[C@@]1(c1cccnc1)C3
InChIInChI=1S/C14H17N3/c15-17-12-4-1-5-13(12)6-7-14(17,10-13)11-3-2-8-16-9-11/h2-3,8-9,12H,1,4-7,10H2/t12?,13?,14-/m0/s1
InChIKeyAJRGHQBKCCKTAQ-RUXDESIVSA-N
XLogP3.05
TPSA38.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
(1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10679181
(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10583787
3-(1-fluorocyclobutyl)pyridine
CID 158766896
3-fluoro-3-pyridin-3-ylcyclopentan-1-amine
CID 112565744
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
3-(1-pyrrolidin-2-ylcyclohexyl)pyridine
CID 83911588
3-(1-pyrrolidin-3-ylcyclopentyl)pyridine
CID 83910049
3-pyridin-3-ylbicyclo[3.1.0]hexan-3-amine
CID 82411366
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861250
3,3-dimethyl-1-pyridin-3-ylcyclobutane-1-carbonitrile
CID 80522315

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide?
The IUPAC name of [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide (CID 87288239) is [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide.
What is the SMILES notation for [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide?
The canonical SMILES for [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide is [N-]=[N+]1C2CCCC23CC[C@@]1(c1cccnc1)C3.
What is the InChIKey of [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide?
The InChIKey is AJRGHQBKCCKTAQ-RUXDESIVSA-N. The full InChI is InChI=1S/C14H17N3/c15-17-12-4-1-5-13(12)6-7-14(17,10-13)11-3-2-8-16-9-11/h2-3,8-9,12H,1,4-7,10H2/t12?,13?,14-/m0/s1.
What are the key properties of [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide?
[(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide has a molecular weight of 227.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-pyridin-3-yl-6-azoniatricyclo[5.2.1.01,5]decan-6-ylidene]azanide is sourced from PubChem (CID 87288239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).