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

C9H18N2 — CID 59701775

IUPAC4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CCN2CCC1C2
InChIInChI=1S/C9H18N2/c1-8(2)11-6-5-10-4-3-9(11)7-10/h8-9H,3-7H2,1-2H3
InChIKeyQXTGVGUYRRGVCU-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds1

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

4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane (PubChem CID 59701775) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
PubChem CID59701775
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CCN2CCC1C2
InChIInChI=1S/C9H18N2/c1-8(2)11-6-5-10-4-3-9(11)7-10/h8-9H,3-7H2,1-2H3
InChIKeyQXTGVGUYRRGVCU-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-Dimethyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride
CID 165767390
4-[3-(4-Propan-2-ylpiperazin-1-yl)propyl]-1,4-diazabicyclo[3.2.1]octane
CID 122154253
3,8-Dimethyl-3,8-diazabicyclo[3.2.1]octane
CID 23383278
8-(3-Fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 170185970
3-(2-Fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 170689580
3-(3-Fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 178037702
8-Propyl-1,5-diazabicyclo[3.2.1]octane
CID 20568209
1-Methyl-4-(1-methyl-4-piperidinyl)-1,4-diazepane
CID 2846262
4-Methyl-1,4-diazabicyclo[3.2.1]octane
CID 18712667
1-(1-Methylpyrrolidin-3-yl)piperidine
CID 18722890
8-Methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 18731882
8-Ethyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 20676178

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane (CID 59701775) is 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane is CC(C)N1CCN2CCC1C2.
What is the InChIKey of 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is QXTGVGUYRRGVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)11-6-5-10-4-3-9(11)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane?
4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 154.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 59701775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).