10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane

C16H34N2 — CID 160947878

IUPAC10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
SMILESC.CC(C)N1CC2CCCCC(C1)N2C(C)(C)C
InChIInChI=1S/C15H30N2.CH4/c1-12(2)16-10-13-8-6-7-9-14(11-16)17(13)15(3,4)5;/h12-14H,6-11H2,1-5H3;1H4
InChIKeySVIXVJNDOZWBNI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.76
Rot. Bonds1

About 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane

10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane (PubChem CID 160947878) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane.

Molecular Properties

Compound Name10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
PubChem CID160947878
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
SMILESC.CC(C)N1CC2CCCCC(C1)N2C(C)(C)C
InChIInChI=1S/C15H30N2.CH4/c1-12(2)16-10-13-8-6-7-9-14(11-16)17(13)15(3,4)5;/h12-14H,6-11H2,1-5H3;1H4
InChIKeySVIXVJNDOZWBNI-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-8-propan-2-yl-8,10-diazabicyclo[4.3.2]undecane
CID 176748103
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
4-ethyl-2-propan-2-yl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 123656866
(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 167278579
3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841732
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104830147
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane?
The IUPAC name of 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane (CID 160947878) is 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane.
What is the SMILES notation for 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane?
The canonical SMILES for 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane is C.CC(C)N1CC2CCCCC(C1)N2C(C)(C)C.
What is the InChIKey of 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane?
The InChIKey is SVIXVJNDOZWBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.CH4/c1-12(2)16-10-13-8-6-7-9-14(11-16)17(13)15(3,4)5;/h12-14H,6-11H2,1-5H3;1H4.
What are the key properties of 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane?
10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane has a molecular weight of 254.46 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane is sourced from PubChem (CID 160947878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).