9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane

C18H24N2 — CID 64939513

IUPAC9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane
SMILESC#CCCN1CC2(CCCC2)NCC1c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-13-20-15-18(11-7-8-12-18)19-14-17(20)16-9-5-4-6-10-16/h1,4-6,9-10,17,19H,3,7-8,11-15H2
InChIKeyURXJELPRWADLOI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.97
Rot. Bonds3

About 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane

9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane (PubChem CID 64939513) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane
PubChem CID64939513
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane
SMILESC#CCCN1CC2(CCCC2)NCC1c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-13-20-15-18(11-7-8-12-18)19-14-17(20)16-9-5-4-6-10-16/h1,4-6,9-10,17,19H,3,7-8,11-15H2
InChIKeyURXJELPRWADLOI-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane
CID 64931427
5,5-diethyl-2-phenyl-1-prop-2-ynylpiperazine
CID 64933982
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
9-(1-cyclopropylethyl)-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64933473
8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
CID 80696882
(3S)-3-phenyl-1-azaspiro[4.5]decane
CID 129366123
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 64878204
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
CID 106211749
1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
CID 106211786
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013

Frequently Asked Questions

What is the IUPAC name of 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane (CID 64939513) is 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane is C#CCCN1CC2(CCCC2)NCC1c1ccccc1.
What is the InChIKey of 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane?
The InChIKey is URXJELPRWADLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-13-20-15-18(11-7-8-12-18)19-14-17(20)16-9-5-4-6-10-16/h1,4-6,9-10,17,19H,3,7-8,11-15H2.
What are the key properties of 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane?
9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane has a molecular weight of 268.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-but-3-ynyl-8-phenyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).