2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2 — CID 18731886

IUPAC2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2C
InChIInChI=1S/C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyRQJLAIUTUWWXTK-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds1

About 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 18731886) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID18731886
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CC1CN2C
InChIInChI=1S/C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyRQJLAIUTUWWXTK-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

(1S,4S)-2-methyl-5-[(1R)-1-phenylethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 24787409
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908
(1S,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702570
(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 167009611
2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane
CID 147181318
N,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-amine
CID 147224350
(1S,4S)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160727346
2-(5-fluoropyrimidin-2-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 176692456
(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 89206158
5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
CID 167300749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 18731886) is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2CC1CN2C.
What is the InChIKey of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RQJLAIUTUWWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane 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 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 18731886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).