(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane

C7H14N2 — CID 155972992

IUPAC(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
SMILESCN1CCN[C@@H]2CC[C@H]21
InChIInChI=1S/C7H14N2/c1-9-5-4-8-6-2-3-7(6)9/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHFDCQULRGXUUDZ-RNFRBKRXSA-N
MW126.20 g/mol
LogP0.05
Rot. Bonds

About (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane

(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane (PubChem CID 155972992) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
PubChem CID155972992
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
SMILESCN1CCN[C@@H]2CC[C@H]21
InChIInChI=1S/C7H14N2/c1-9-5-4-8-6-2-3-7(6)9/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHFDCQULRGXUUDZ-RNFRBKRXSA-N
XLogP0.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
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(3aS,9aR)-1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 73440416
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CID 130417846
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CID 124718938
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045
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CID 82407463
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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane?
The IUPAC name of (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane (CID 155972992) is (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane is CN1CCN[C@@H]2CC[C@H]21.
What is the InChIKey of (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane?
The InChIKey is HFDCQULRGXUUDZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-5-4-8-6-2-3-7(6)9/h6-8H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane?
(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane has a molecular weight of 126.20 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 155972992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).