7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine

C22H44N2 — CID 123429048

IUPAC7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine
SMILESCC(N)C(C)(C)C(C)(C)C(C)(C)CC(C)(C)N1CC2(C)CCC12C
InChIInChI=1S/C22H44N2/c1-16(23)19(6,7)20(8,9)17(2,3)14-18(4,5)24-15-21(10)12-13-22(21,24)11/h16H,12-15,23H2,1-11H3
InChIKeyAAQDIWWOTRFISH-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.46
Rot. Bonds6

About 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine

7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine (PubChem CID 123429048) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine.

Molecular Properties

Compound Name7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine
PubChem CID123429048
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine
SMILESCC(N)C(C)(C)C(C)(C)C(C)(C)CC(C)(C)N1CC2(C)CCC12C
InChIInChI=1S/C22H44N2/c1-16(23)19(6,7)20(8,9)17(2,3)14-18(4,5)24-15-21(10)12-13-22(21,24)11/h16H,12-15,23H2,1-11H3
InChIKeyAAQDIWWOTRFISH-UHFFFAOYSA-N
XLogP5.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine with MolForge

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Related Compounds

9-Methyl-3,9-diazadispiro[3.1.56.14]dodecane
CID 177801749
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CID 134968782
3-Butan-2-yl-1-methyl-2-azabicyclo[2.2.0]hexane
CID 91344332
1-(6-Ethyl-2-azabicyclo[2.2.0]hexan-6-yl)-2-methylcyclobutan-1-amine
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2-Tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 126657816
2-(3-Methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 129146201
2-Tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
CID 129146216
2-Nonan-2-yl-2,8-diazaspiro[3.5]nonane
CID 129237366
2,2,3-Trimethyl-8-nonan-5-yl-5,8-diazaspiro[3.5]nonane
CID 129260308
4-[1-[3-(2,2-Dimethylpropyl)-1-methylazetidin-2-yl]-2-methylpropan-2-yl]-1-ethylpiperidine
CID 129267386
4-[2-[3-(2-Cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine
CID 130224167

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine?
The IUPAC name of 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine (CID 123429048) is 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine.
What is the SMILES notation for 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine?
The canonical SMILES for 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine is CC(N)C(C)(C)C(C)(C)C(C)(C)CC(C)(C)N1CC2(C)CCC12C.
What is the InChIKey of 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine?
The InChIKey is AAQDIWWOTRFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-16(23)19(6,7)20(8,9)17(2,3)14-18(4,5)24-15-21(10)12-13-22(21,24)11/h16H,12-15,23H2,1-11H3.
What are the key properties of 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine?
7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine has a molecular weight of 336.61 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dimethyl-2-azabicyclo[2.2.0]hexan-2-yl)-3,3,4,4,5,5,7-heptamethyloctan-2-amine is sourced from PubChem (CID 123429048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).