9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene

C20H37N — CID 176830116

IUPAC9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1C)CCN(C(C)C)CC2
InChIInChI=1S/C20H37N/c1-14(2)18-17(7)8-9-20(19(18)15(3)4)10-12-21(13-11-20)16(5)6/h14-17H,8-13H2,1-7H3
InChIKeyURBZFMYCLYQNQA-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.52
Rot. Bonds3

About 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene

9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene (PubChem CID 176830116) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
PubChem CID176830116
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
SMILESCC(C)C1=C(C(C)C)C2(CCC1C)CCN(C(C)C)CC2
InChIInChI=1S/C20H37N/c1-14(2)18-17(7)8-9-20(19(18)15(3)4)10-12-21(13-11-20)16(5)6/h14-17H,8-13H2,1-7H3
InChIKeyURBZFMYCLYQNQA-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.52
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

2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829910
2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 176830058
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
(5S,6S)-6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 176829539
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
CID 176829653
1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene
CID 59187215
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 177204312
3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 140910769

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The IUPAC name of 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene (CID 176830116) is 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene.
What is the SMILES notation for 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The canonical SMILES for 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene is CC(C)C1=C(C(C)C)C2(CCC1C)CCN(C(C)C)CC2.
What is the InChIKey of 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
The InChIKey is URBZFMYCLYQNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-14(2)18-17(7)8-9-20(19(18)15(3)4)10-12-21(13-11-20)16(5)6/h14-17H,8-13H2,1-7H3.
What are the key properties of 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene?
9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene has a molecular weight of 291.52 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene is sourced from PubChem (CID 176830116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).