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

C8H18Cl2N2 — CID 75530864

IUPAC(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
SMILESCN1[C@H]2CCNC[C@@H]1CC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)6-9-5-4-7;;/h7-9H,2-6H2,1H3;2*1H/t7-,8+;;/m1../s1
InChIKeyFIVHDQJHVDEBHH-YUZCMTBUSA-N
MW213.15 g/mol
LogP1.29
Rot. Bonds

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

(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride (PubChem CID 75530864) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride.

Molecular Properties

Compound Name(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
PubChem CID75530864
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
SMILESCN1[C@H]2CCNC[C@@H]1CC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)6-9-5-4-7;;/h7-9H,2-6H2,1H3;2*1H/t7-,8+;;/m1../s1
InChIKeyFIVHDQJHVDEBHH-YUZCMTBUSA-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[3.3.1]nonane
CID 18911
9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 79174792
9-butan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 82240951
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
9,17-dimethyl-3,11,17-triazatricyclo[12.2.1.05,10]heptadeca-5,7,9-triene;trihydrochloride
CID 171687634
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
9-methyl-3-pyrrolidin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170212
(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
CID 67423613
3,9-diazabicyclo[4.2.1]nonan-9-ylmethanone;rubidium(1+)
CID 173482628
1-methyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 23282605
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 131160169

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
The IUPAC name of (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride (CID 75530864) is (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride.
What is the SMILES notation for (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
The canonical SMILES for (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride is CN1[C@H]2CCNC[C@@H]1CC2.Cl.Cl.
What is the InChIKey of (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
The InChIKey is FIVHDQJHVDEBHH-YUZCMTBUSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)6-9-5-4-7;;/h7-9H,2-6H2,1H3;2*1H/t7-,8+;;/m1../s1.
What are the key properties of (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride?
(1S,6R)-9-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 (1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride is sourced from PubChem (CID 75530864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).