9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane

C16H29N — CID 18727328

IUPAC9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane
SMILESCC(C)C1C2CC3CCCC(C2)N3C1C(C)C
InChIInChI=1S/C16H29N/c1-10(2)15-12-8-13-6-5-7-14(9-12)17(13)16(15)11(3)4/h10-16H,5-9H2,1-4H3
InChIKeyGHJDJQBQLYAHHM-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.93
Rot. Bonds2

About 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane

9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane (PubChem CID 18727328) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane
PubChem CID18727328
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane
SMILESCC(C)C1C2CC3CCCC(C2)N3C1C(C)C
InChIInChI=1S/C16H29N/c1-10(2)15-12-8-13-6-5-7-14(9-12)17(13)16(15)11(3)4/h10-16H,5-9H2,1-4H3
InChIKeyGHJDJQBQLYAHHM-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Propyl-1-azabicyclo[2.2.2]octane
CID 16736729
2-Butyl-1-azabicyclo[2.2.2]octane
CID 16737729
9,10-Di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane
CID 18717942
8-Azatricyclo[5.3.1.03,8]undecane
CID 21847874
2-Pentyl-1-azabicyclo[2.2.2]octane
CID 54153684
N-[2,2-bis(1-methylpiperidin-4-yl)ethyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 57105686
9-Methyl-3-propan-2-yl-9-azabicyclo[3.3.1]nonane
CID 57725281
2,3,9-Trimethyl-9-azabicyclo[3.3.1]nonane
CID 58019090
2,3,9-Tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane
CID 58449983
9-Methyl-2,3-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
CID 59285397
3,9-Di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
CID 59450933
(2S,3S)-2,3-di(propan-2-yl)-1-azabicyclo[2.2.2]octane
CID 59781495

Frequently Asked Questions

What is the IUPAC name of 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane?
The IUPAC name of 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane (CID 18727328) is 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane?
The canonical SMILES for 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane is CC(C)C1C2CC3CCCC(C2)N3C1C(C)C.
What is the InChIKey of 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane?
The InChIKey is GHJDJQBQLYAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-10(2)15-12-8-13-6-5-7-14(9-12)17(13)16(15)11(3)4/h10-16H,5-9H2,1-4H3.
What are the key properties of 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane?
9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane has a molecular weight of 235.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-di(propan-2-yl)-8-azatricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 18727328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).