(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane

C18H25N — CID 102412352

IUPAC(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
SMILESC=C[C@@H]1CCC[C@@]12CCCCN2Cc1ccccc1
InChIInChI=1S/C18H25N/c1-2-17-11-8-13-18(17)12-6-7-14-19(18)15-16-9-4-3-5-10-16/h2-5,9-10,17H,1,6-8,11-15H2/t17-,18+/m1/s1
InChIKeyMRGCBFJGTHTMQE-MSOLQXFVSA-N
MW255.41 g/mol
LogP4.40
Rot. Bonds3

About (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane

(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane (PubChem CID 102412352) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
PubChem CID102412352
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
SMILESC=C[C@@H]1CCC[C@@]12CCCCN2Cc1ccccc1
InChIInChI=1S/C18H25N/c1-2-17-11-8-13-18(17)12-6-7-14-19(18)15-16-9-4-3-5-10-16/h2-5,9-10,17H,1,6-8,11-15H2/t17-,18+/m1/s1
InChIKeyMRGCBFJGTHTMQE-MSOLQXFVSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.40
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

6-benzyl-6-azaspiro[4.5]decan-4-amine
CID 82664902
(5S,9S)-1-benzyl-9-methyl-1-azaspiro[4.4]nonane
CID 102412356
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
1,2-dibenzyl-2-ethenylpyrrolidine
CID 4304758
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
CID 174330652
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-benzyl-2-ethynyl-1-azaspiro[2.4]heptane
CID 53387934
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane?
The IUPAC name of (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane (CID 102412352) is (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane.
What is the SMILES notation for (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane?
The canonical SMILES for (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane is C=C[C@@H]1CCC[C@@]12CCCCN2Cc1ccccc1.
What is the InChIKey of (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane?
The InChIKey is MRGCBFJGTHTMQE-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H25N/c1-2-17-11-8-13-18(17)12-6-7-14-19(18)15-16-9-4-3-5-10-16/h2-5,9-10,17H,1,6-8,11-15H2/t17-,18+/m1/s1.
What are the key properties of (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane?
(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane has a molecular weight of 255.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane is sourced from PubChem (CID 102412352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).