9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane

C24H41N — CID 90690760

IUPAC9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane
SMILESC=CC=CC=C(C)C(C)CC(C)(C)N1CCC2(CCC(C)CC2)CC1
InChIInChI=1S/C24H41N/c1-7-8-9-10-21(3)22(4)19-23(5,6)25-17-15-24(16-18-25)13-11-20(2)12-14-24/h7-10,20,22H,1,11-19H2,2-6H3
InChIKeyHSZAVNQZJKKJOV-UHFFFAOYSA-N
MW343.60 g/mol
LogP6.77
Rot. Bonds6

About 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane

9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane (PubChem CID 90690760) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane
PubChem CID90690760
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane
SMILESC=CC=CC=C(C)C(C)CC(C)(C)N1CCC2(CCC(C)CC2)CC1
InChIInChI=1S/C24H41N/c1-7-8-9-10-21(3)22(4)19-23(5,6)25-17-15-24(16-18-25)13-11-20(2)12-14-24/h7-10,20,22H,1,11-19H2,2-6H3
InChIKeyHSZAVNQZJKKJOV-UHFFFAOYSA-N
XLogP6.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane?
The IUPAC name of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane (CID 90690760) is 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane is C=CC=CC=C(C)C(C)CC(C)(C)N1CCC2(CCC(C)CC2)CC1.
What is the InChIKey of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane?
The InChIKey is HSZAVNQZJKKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N/c1-7-8-9-10-21(3)22(4)19-23(5,6)25-17-15-24(16-18-25)13-11-20(2)12-14-24/h7-10,20,22H,1,11-19H2,2-6H3.
What are the key properties of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane?
9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane has a molecular weight of 343.60 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 90690760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).