(8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane

C13H21N — CID 164868806

IUPAC(8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane
SMILESC=C[C@@H]1CCN(C2CC2)C2(CCC2)C1
InChIInChI=1S/C13H21N/c1-2-11-6-9-14(12-4-5-12)13(10-11)7-3-8-13/h2,11-12H,1,3-10H2/t11-/m1/s1
InChIKeySJYGISSGNXNFPQ-LLVKDONJSA-N
MW191.32 g/mol
LogP2.97
Rot. Bonds2

About (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane

(8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane (PubChem CID 164868806) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane
PubChem CID164868806
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane
SMILESC=C[C@@H]1CCN(C2CC2)C2(CCC2)C1
InChIInChI=1S/C13H21N/c1-2-11-6-9-14(12-4-5-12)13(10-11)7-3-8-13/h2,11-12H,1,3-10H2/t11-/m1/s1
InChIKeySJYGISSGNXNFPQ-LLVKDONJSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8S)-5-cyclopropyl-8-methyl-5-azaspiro[3.5]nonane;ethane
CID 169125922
8-tert-butyl-5-cyclopropyl-5-azaspiro[3.5]nonane
CID 171594502
4-cyclobutyl-7-methyl-4-azaspiro[2.5]octane
CID 168902465
5-cyclopropyl-2-propan-2-yl-5-azaspiro[3.5]nonane
CID 164867855
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943
1,3-bis(ethenyl)pyrrolidine
CID 121376426
4-ethenyl-1-methylpiperidine;molecular hydrogen
CID 143787743
(3S)-3-ethenyl-1-methylpyrrolidine
CID 134577901
1,1-dideuterio-2-ethenylcyclopropane
CID 152527695

Frequently Asked Questions

What is the IUPAC name of (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane?
The IUPAC name of (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane (CID 164868806) is (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane is C=C[C@@H]1CCN(C2CC2)C2(CCC2)C1.
What is the InChIKey of (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane?
The InChIKey is SJYGISSGNXNFPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N/c1-2-11-6-9-14(12-4-5-12)13(10-11)7-3-8-13/h2,11-12H,1,3-10H2/t11-/m1/s1.
What are the key properties of (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane?
(8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane has a molecular weight of 191.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-5-cyclopropyl-8-ethenyl-5-azaspiro[3.5]nonane is sourced from PubChem (CID 164868806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).