3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane

C15H23N3 — CID 67986727

IUPAC3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C15H23N3/c1-12(2)17-10-14-6-7-15(11-17)18(14)9-13-5-3-4-8-16-13/h3-5,8,12,14-15H,6-7,9-11H2,1-2H3
InChIKeyBVAFGVUMEBEUTL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.14
Rot. Bonds3

About 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane

3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 67986727) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID67986727
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C15H23N3/c1-12(2)17-10-14-6-7-15(11-17)18(14)9-13-5-3-4-8-16-13/h3-5,8,12,14-15H,6-7,9-11H2,1-2H3
InChIKeyBVAFGVUMEBEUTL-UHFFFAOYSA-N
XLogP2.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-6-(pyrimidin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 134507405
[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 82242881
2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
CID 166501051
3-propyl-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 138608098
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 134380019
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
6-benzyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 126752893
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105886
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane (CID 67986727) is 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2Cc1ccccn1.
What is the InChIKey of 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is BVAFGVUMEBEUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)17-10-14-6-7-15(11-17)18(14)9-13-5-3-4-8-16-13/h3-5,8,12,14-15H,6-7,9-11H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 245.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 67986727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).