4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane

C18H35N — CID 177162070

IUPAC4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane
SMILESCC.CC1=C(C(C)C)C2(CCC1)CCCN(C)CC2
InChIInChI=1S/C16H29N.C2H6/c1-13(2)15-14(3)7-5-8-16(15)9-6-11-17(4)12-10-16;1-2/h13H,5-12H2,1-4H3;1-2H3
InChIKeyVUCBLQDWLIWEPR-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.27
Rot. Bonds1

About 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane

4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane (PubChem CID 177162070) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane.

Molecular Properties

Compound Name4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane
PubChem CID177162070
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane
SMILESCC.CC1=C(C(C)C)C2(CCC1)CCCN(C)CC2
InChIInChI=1S/C16H29N.C2H6/c1-13(2)15-14(3)7-5-8-16(15)9-6-11-17(4)12-10-16;1-2/h13H,5-12H2,1-4H3;1-2H3
InChIKeyVUCBLQDWLIWEPR-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane with MolForge

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Related Compounds

ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane
CID 177162678
1'-methylspiro[2,3,6,7-tetrahydro-1H-naphthalene-4,4'-piperidine]
CID 142832401
9-methyl-2,9-diazaspiro[4.6]undecane-1,3-dione
CID 65071381
1,4-dimethyl-4-propan-2-ylazepane
CID 91322463
7-methyl-7-azaspiro[4.5]decan-4-one;hydrochloride
CID 121207632
ethane;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 170729600
1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
CID 539545
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
ethane;bis(1-methylpyrrolidine)
CID 153385238
(4R)-6-methyl-6-azaspiro[3.5]nonan-3-one
CID 129450959
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
1,4,4,7,7-pentamethylazecane
CID 137411559

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane?
The IUPAC name of 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane (CID 177162070) is 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane.
What is the SMILES notation for 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane?
The canonical SMILES for 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane is CC.CC1=C(C(C)C)C2(CCC1)CCCN(C)CC2.
What is the InChIKey of 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane?
The InChIKey is VUCBLQDWLIWEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N.C2H6/c1-13(2)15-14(3)7-5-8-16(15)9-6-11-17(4)12-10-16;1-2/h13H,5-12H2,1-4H3;1-2H3.
What are the key properties of 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane?
4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane has a molecular weight of 265.48 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-5-propan-2-yl-9-azaspiro[5.6]dodec-4-ene;ethane is sourced from PubChem (CID 177162070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).