(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane

C10H19N3 — CID 167009611

IUPAC(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC(N2C[C@H]3C[C@@H]2CN3C)C1
InChIInChI=1S/C10H19N3/c1-11-4-10(5-11)13-7-8-3-9(13)6-12(8)2/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyMILOJFDGSONEEU-RKDXNWHRSA-N
MW181.28 g/mol
LogP-0.31
Rot. Bonds1

About (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 167009611) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID167009611
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC(N2C[C@H]3C[C@@H]2CN3C)C1
InChIInChI=1S/C10H19N3/c1-11-4-10(5-11)13-7-8-3-9(13)6-12(8)2/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyMILOJFDGSONEEU-RKDXNWHRSA-N
XLogP-0.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 89206158
(1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.2.1]octane
CID 89243560
(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 71031724
2-[1-(4-tert-butylphenyl)piperidin-4-yl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 176615878
N,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-amine
CID 147224350
2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane
CID 147181318
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
(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
(1S,5R)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615808
(1S,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 150104051
bis(2-ethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane);3-ethyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;6-ethyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 160879752
(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 164971372

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 167009611) is (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane is CN1CC(N2C[C@H]3C[C@@H]2CN3C)C1.
What is the InChIKey of (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is MILOJFDGSONEEU-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19N3/c1-11-4-10(5-11)13-7-8-3-9(13)6-12(8)2/h8-10H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 181.28 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 167009611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).