8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane

C17H24N2 — CID 64877089

IUPAC8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
SMILESC=CCN1CC(c2ccccc2)NCC12CCCC2
InChIInChI=1S/C17H24N2/c1-2-12-19-13-16(15-8-4-3-5-9-15)18-14-17(19)10-6-7-11-17/h2-5,8-9,16,18H,1,6-7,10-14H2
InChIKeyMSLNNHLBHJWOJG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.13
Rot. Bonds3

About 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane

8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877089) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
PubChem CID64877089
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane
SMILESC=CCN1CC(c2ccccc2)NCC12CCCC2
InChIInChI=1S/C17H24N2/c1-2-12-19-13-16(15-8-4-3-5-9-15)18-14-17(19)10-6-7-11-17/h2-5,8-9,16,18H,1,6-7,10-14H2
InChIKeyMSLNNHLBHJWOJG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclizine
CID 6726
1-Benzylpiperazine
CID 75994
Cyclizine Hydrochloride
CID 6420019
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
Norbenzphetamine
CID 102554
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
CID 2728761
N-Benzylethylenediamine
CID 77801
2-Benzylpiperidine
CID 118004
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
1-Benzyl-4-methyl-piperazine
CID 763557

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane (CID 64877089) is 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane is C=CCN1CC(c2ccccc2)NCC12CCCC2.
What is the InChIKey of 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
The InChIKey is MSLNNHLBHJWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-12-19-13-16(15-8-4-3-5-9-15)18-14-17(19)10-6-7-11-17/h2-5,8-9,16,18H,1,6-7,10-14H2.
What are the key properties of 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane?
8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane has a molecular weight of 256.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).