ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

C20H39N — CID 177162235

IUPACethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC.CCC1=C(C(C)C)CC(C)C12CCN(C(C)C)CC2
InChIInChI=1S/C18H33N.C2H6/c1-7-17-16(13(2)3)12-15(6)18(17)8-10-19(11-9-18)14(4)5;1-2/h13-15H,7-12H2,1-6H3;1-2H3
InChIKeyRBJCJYTZXCMCQI-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.91
Rot. Bonds3

About ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (PubChem CID 177162235) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Nameethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
PubChem CID177162235
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Nameethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC.CCC1=C(C(C)C)CC(C)C12CCN(C(C)C)CC2
InChIInChI=1S/C18H33N.C2H6/c1-7-17-16(13(2)3)12-15(6)18(17)8-10-19(11-9-18)14(4)5;1-2/h13-15H,7-12H2,1-6H3;1-2H3
InChIKeyRBJCJYTZXCMCQI-UHFFFAOYSA-N
XLogP5.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.91
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

2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
CID 176829653
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176830116
ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 170581774
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
ethane;4-methyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 170571754
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 167225931
2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 176830058

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (CID 177162235) is ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is CC.CCC1=C(C(C)C)CC(C)C12CCN(C(C)C)CC2.
What is the InChIKey of ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The InChIKey is RBJCJYTZXCMCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N.C2H6/c1-7-17-16(13(2)3)12-15(6)18(17)8-10-19(11-9-18)14(4)5;1-2/h13-15H,7-12H2,1-6H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene has a molecular weight of 293.54 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).