8-propan-2-yl-8-azabicyclo[5.2.0]nonane

C11H21N — CID 166687611

IUPAC8-propan-2-yl-8-azabicyclo[5.2.0]nonane
SMILESCC(C)N1CC2CCCCCC21
InChIInChI=1S/C11H21N/c1-9(2)12-8-10-6-4-3-5-7-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyHKBWDZXRBMISCD-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds1

About 8-propan-2-yl-8-azabicyclo[5.2.0]nonane

8-propan-2-yl-8-azabicyclo[5.2.0]nonane (PubChem CID 166687611) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 8-propan-2-yl-8-azabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name8-propan-2-yl-8-azabicyclo[5.2.0]nonane
PubChem CID166687611
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name8-propan-2-yl-8-azabicyclo[5.2.0]nonane
SMILESCC(C)N1CC2CCCCCC21
InChIInChI=1S/C11H21N/c1-9(2)12-8-10-6-4-3-5-7-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyHKBWDZXRBMISCD-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane
CID 166695983
7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane
CID 130694462
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
CID 164821495
1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 67986230
2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid
CID 130693565
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497
1-tert-butyl-4-cyclononyl-3-propan-2-ylimidazolidine
CID 138708482
2-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]butanenitrile
CID 130719228
6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89346367
(3E)-3-(2-methylpropylidene)-7-propan-2-yl-7-azabicyclo[4.2.0]octane
CID 155037085
7-propan-2-yl-3-[5-(7-propan-2-yl-3,7-diazabicyclo[4.2.0]octan-3-yl)hexan-2-yl]-3,7-diazabicyclo[4.2.0]octane
CID 170230574

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-8-azabicyclo[5.2.0]nonane?
The IUPAC name of 8-propan-2-yl-8-azabicyclo[5.2.0]nonane (CID 166687611) is 8-propan-2-yl-8-azabicyclo[5.2.0]nonane.
What is the SMILES notation for 8-propan-2-yl-8-azabicyclo[5.2.0]nonane?
The canonical SMILES for 8-propan-2-yl-8-azabicyclo[5.2.0]nonane is CC(C)N1CC2CCCCCC21.
What is the InChIKey of 8-propan-2-yl-8-azabicyclo[5.2.0]nonane?
The InChIKey is HKBWDZXRBMISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)12-8-10-6-4-3-5-7-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-8-azabicyclo[5.2.0]nonane?
8-propan-2-yl-8-azabicyclo[5.2.0]nonane has a molecular weight of 167.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-8-azabicyclo[5.2.0]nonane is sourced from PubChem (CID 166687611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).