methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)

C27H58N2 — CID 159896810

IUPACmethane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)
SMILESC.CN1C(C)(C)C(C)(C)C(C)(C)C1(C)C.CN1C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/2C13H27N.CH4/c2*1-10(2)11(3,4)13(7,8)14(9)12(10,5)6;/h2*1-9H3;1H4
InChIKeyNVLHEIKJHQRULM-UHFFFAOYSA-N
MW410.78 g/mol
LogP7.72
Rot. Bonds

About methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)

methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine) (PubChem CID 159896810) has the molecular formula C27H58N2 and a molecular weight of 410.78 g/mol. Its IUPAC name is methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine).

Molecular Properties

Compound Namemethane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)
PubChem CID159896810
Molecular FormulaC27H58N2
Molecular Weight410.78 g/mol
Exact Mass410.46
IUPAC Namemethane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)
SMILESC.CN1C(C)(C)C(C)(C)C(C)(C)C1(C)C.CN1C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/2C13H27N.CH4/c2*1-10(2)11(3,4)13(7,8)14(9)12(10,5)6;/h2*1-9H3;1H4
InChIKeyNVLHEIKJHQRULM-UHFFFAOYSA-N
XLogP7.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2,3,3,4,5,5,6,6,7,8,8,9,9,11,11,12,12-octadecamethyl-1,4,7,10-tetrazabicyclo[8.2.1]tridecane
CID 59865453
2,2,3,3,4,5,5,6,6,8,8,9,9,10,11,11,12,12-octadecamethyl-1,4,7,10-tetrazabicyclo[5.5.1]tridecane
CID 59865421
2,2,3,3,4,4,5,6,6,7,7-undecamethyl-1,8-di(propan-2-yl)-1,5-diazocane
CID 175612245
1,2,2,3,3,4,5,5,6,6,7,8,8,9,9,11,11,12,12-nonadecamethyl-10-propan-2-ylidene-1,4,7-triaza-10-azoniacyclododecane
CID 59865507
1,2,2,3,3,4,5,5-octamethylpyrrolidin-4-ide;yttrium
CID 59247972
1,1',3',3',4,4',4',5,5',5',6,7-dodecamethylspiro[indole-3,2'-pyrrolidine]-2-one
CID 18684530
2,2,3-trimethyl-1-azabicyclo[1.1.0]butane
CID 123182045
2-ethenyl-1,2,3,3-tetramethylaziridine
CID 134994045
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
CID 23565911
(5S,7S)-5,7-dimethoxy-2,5,6,6,7-pentamethylpyrazolo[1,2-a][1,2,4]triazole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)?
The IUPAC name of methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine) (CID 159896810) is methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine).
What is the SMILES notation for methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)?
The canonical SMILES for methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine) is C.CN1C(C)(C)C(C)(C)C(C)(C)C1(C)C.CN1C(C)(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)?
The InChIKey is NVLHEIKJHQRULM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N.CH4/c2*1-10(2)11(3,4)13(7,8)14(9)12(10,5)6;/h2*1-9H3;1H4.
What are the key properties of methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)?
methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine) has a molecular weight of 410.78 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine) is sourced from PubChem (CID 159896810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).