(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride

C8H18Cl2N2 — CID 136584974

IUPAC(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
SMILESCN1CC[C@@H]2CC[C@H](C1)N2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10-5-4-7-2-3-8(6-10)9-7;;/h7-9H,2-6H2,1H3;2*1H/t7-,8+;;/m0../s1
InChIKeySFZOQOFNZUCRPB-OXOJUWDDSA-N
MW213.15 g/mol
LogP1.29
Rot. Bonds

About (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride

(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride (PubChem CID 136584974) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride.

Molecular Properties

Compound Name(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
PubChem CID136584974
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
SMILESCN1CC[C@@H]2CC[C@H](C1)N2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10-5-4-7-2-3-8(6-10)9-7;;/h7-9H,2-6H2,1H3;2*1H/t7-,8+;;/m0../s1
InChIKeySFZOQOFNZUCRPB-OXOJUWDDSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-Methyl-3,9-diazabicyclo[4.2.1]nonane
CID 13973730
2-(Pyrrolidin-1-ylmethyl)azepane
CID 4715187
3-Ethyl-3,9-diazabicyclo[4.2.1]nonane
CID 71755572
3,9-Diazabicyclo[4.2.1]nonane
CID 20025598
5,5-Difluoro-3-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 166103090
3,9-Dimethyl-3,9-diazabicyclo[4.2.1]nonane
CID 282182
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79170318
2,2,2-trifluoro-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]ethanamine
CID 79170609
3,3,3-Trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine
CID 79174434
4,4,4-Trifluoro-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-amine
CID 79174587
4,4,4-Trifluoro-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
CID 79174676
1,1,1-Trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine
CID 79174854

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
The IUPAC name of (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride (CID 136584974) is (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride.
What is the SMILES notation for (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
The canonical SMILES for (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride is CN1CC[C@@H]2CC[C@H](C1)N2.Cl.Cl.
What is the InChIKey of (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
The InChIKey is SFZOQOFNZUCRPB-OXOJUWDDSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-10-5-4-7-2-3-8(6-10)9-7;;/h7-9H,2-6H2,1H3;2*1H/t7-,8+;;/m0../s1.
What are the key properties of (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride is sourced from PubChem (CID 136584974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).