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

C35H86N2 — CID 157439440

IUPACbis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane
SMILESC.C.C.C.C.C.C.CC.CC.CC(C)C1N(C(C)C)CCC12CC2.CC(C)C1N(C(C)C)CCC12CC2
InChIInChI=1S/2C12H23N.2C2H6.7CH4/c2*1-9(2)11-12(5-6-12)7-8-13(11)10(3)4;2*1-2;;;;;;;/h2*9-11H,5-8H2,1-4H3;2*1-2H3;7*1H4
InChIKeyBRMLQALGHRCQOY-UHFFFAOYSA-N
MW535.09 g/mol
LogP12.32
Rot. Bonds4

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

bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane (PubChem CID 157439440) has the molecular formula C35H86N2 and a molecular weight of 535.09 g/mol. Its IUPAC name is bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane.

Molecular Properties

Compound Namebis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane
PubChem CID157439440
Molecular FormulaC35H86N2
Molecular Weight535.09 g/mol
Exact Mass534.68
IUPAC Namebis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane
SMILESC.C.C.C.C.C.C.CC.CC.CC(C)C1N(C(C)C)CCC12CC2.CC(C)C1N(C(C)C)CCC12CC2
InChIInChI=1S/2C12H23N.2C2H6.7CH4/c2*1-9(2)11-12(5-6-12)7-8-13(11)10(3)4;2*1-2;;;;;;;/h2*9-11H,5-8H2,1-4H3;2*1-2H3;7*1H4
InChIKeyBRMLQALGHRCQOY-UHFFFAOYSA-N
XLogP12.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.09
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1,2-di(propan-2-yl)piperidin-3-ol
CID 171756100
6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
CID 175613591
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
2,4,4-trimethyl-1-propan-2-ylpiperidine
CID 177325327
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 164847437
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
2-tert-butyl-5-fluoro-5-methyl-1-propan-2-ylazepane
CID 175612284
1,2,4-tri(propan-2-yl)piperazine
CID 58977477

Frequently Asked Questions

What is the IUPAC name of bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane?
The IUPAC name of bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane (CID 157439440) is bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane.
What is the SMILES notation for bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane?
The canonical SMILES for bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane is C.C.C.C.C.C.C.CC.CC.CC(C)C1N(C(C)C)CCC12CC2.CC(C)C1N(C(C)C)CCC12CC2.
What is the InChIKey of bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane?
The InChIKey is BRMLQALGHRCQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N.2C2H6.7CH4/c2*1-9(2)11-12(5-6-12)7-8-13(11)10(3)4;2*1-2;;;;;;;/h2*9-11H,5-8H2,1-4H3;2*1-2H3;7*1H4.
What are the key properties of bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane?
bis(4,5-di(propan-2-yl)-5-azaspiro[2.4]heptane);ethane;methane has a molecular weight of 535.09 g/mol, XLogP of 12.32, 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)-5-azaspiro[2.4]heptane);ethane;methane is sourced from PubChem (CID 157439440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).