6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane

C9H18N2 — CID 176948130

IUPAC6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
SMILESCC(C)C1CN2CCNC1C2
InChIInChI=1S/C9H18N2/c1-7(2)8-5-11-4-3-10-9(8)6-11/h7-10H,3-6H2,1-2H3
InChIKeyGZAYVGLZRXSDJR-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds1

About 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane

6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane (PubChem CID 176948130) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
PubChem CID176948130
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
SMILESCC(C)C1CN2CCNC1C2
InChIInChI=1S/C9H18N2/c1-7(2)8-5-11-4-3-10-9(8)6-11/h7-10H,3-6H2,1-2H3
InChIKeyGZAYVGLZRXSDJR-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,7aS)-6-methyl-octahydro-1H-pyrrolo(3,4-b)pyridine
CID 1519490
6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
cis-1-Methyloctahydropyrrolo[3,4-b]pyridine
CID 59676679
3-Methyl-1-(pyrrolidin-2-ylmethyl)piperidine
CID 17389881
1-Azabicyclo[3.2.1]octan-6-amine dihydrochloride
CID 165993150
1-{1-Azabicyclo[3.2.1]octan-6-yl}methanamine
CID 170914536
3,6-Diazabicyclo[3.2.1]octane
CID 22121937
6-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999281
1-Azabicyclo[3.2.1]octan-6-amine
CID 55288950
1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 149156472
1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane
CID 170102015

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane (CID 176948130) is 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane is CC(C)C1CN2CCNC1C2.
What is the InChIKey of 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is GZAYVGLZRXSDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)8-5-11-4-3-10-9(8)6-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 154.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176948130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).