bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane

C30H66N2 — CID 159407949

IUPACbis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane
SMILESC.C.CC.CC.CC(C)C1CCC2(CC2)N1C(C)C.CC(C)C1CCC2(CC2)N1C(C)C
InChIInChI=1S/2C12H23N.2C2H6.2CH4/c2*1-9(2)11-5-6-12(7-8-12)13(11)10(3)4;2*1-2;;/h2*9-11H,5-8H2,1-4H3;2*1-2H3;2*1H4
InChIKeyLOEXHCNMJKGWMQ-UHFFFAOYSA-N
MW454.87 g/mol
LogP9.42
Rot. Bonds4

About bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane

bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane (PubChem CID 159407949) has the molecular formula C30H66N2 and a molecular weight of 454.87 g/mol. Its IUPAC name is bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane.

Molecular Properties

Compound Namebis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane
PubChem CID159407949
Molecular FormulaC30H66N2
Molecular Weight454.87 g/mol
Exact Mass454.52
IUPAC Namebis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane
SMILESC.C.CC.CC.CC(C)C1CCC2(CC2)N1C(C)C.CC(C)C1CCC2(CC2)N1C(C)C
InChIInChI=1S/2C12H23N.2C2H6.2CH4/c2*1-9(2)11-5-6-12(7-8-12)13(11)10(3)4;2*1-2;;/h2*9-11H,5-8H2,1-4H3;2*1-2H3;2*1H4
InChIKeyLOEXHCNMJKGWMQ-UHFFFAOYSA-N
XLogP9.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.87
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-di(propan-2-yl)-2-azaspiro[4.5]decane
CID 171608743
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[5.5]undecane
CID 164942032
5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane
CID 149057571
1,2,5-tri(propan-2-yl)pyrrolidine
CID 58779096
2-ethyl-5,6-di(propan-2-yl)-5-azaspiro[2.5]octane
CID 175612290
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
2-methyl-1-propan-2-yl-3-oxa-1-azaspiro[4.4]nonane
CID 138605795
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1,2,5-tri(propan-2-yl)azepane
CID 176801550
(8S)-5-iodo-8-propan-2-yl-5-azaspiro[3.6]decane
CID 145095351
cyclopropyl-[6,7-di(propan-2-yl)-2,6-diazaspiro[3.6]decan-2-yl]methanone
CID 171756031
ethane;4-propan-2-yl-4-azaspiro[2.4]heptane
CID 170635118

Frequently Asked Questions

What is the IUPAC name of bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane?
The IUPAC name of bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane (CID 159407949) is bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane.
What is the SMILES notation for bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane?
The canonical SMILES for bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane is C.C.CC.CC.CC(C)C1CCC2(CC2)N1C(C)C.CC(C)C1CCC2(CC2)N1C(C)C.
What is the InChIKey of bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane?
The InChIKey is LOEXHCNMJKGWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N.2C2H6.2CH4/c2*1-9(2)11-5-6-12(7-8-12)13(11)10(3)4;2*1-2;;/h2*9-11H,5-8H2,1-4H3;2*1-2H3;2*1H4.
What are the key properties of bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane?
bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane has a molecular weight of 454.87 g/mol, XLogP of 9.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-di(propan-2-yl)-4-azaspiro[2.4]heptane);ethane;methane is sourced from PubChem (CID 159407949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).