1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane

C30H57N5 — CID 157076819

IUPAC1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
SMILESC1CC2CCN(C1)CC2.C1CN2CCC1CC2.C1CN2CCN1CC2.CN1C2CCCC1CCC2
InChIInChI=1S/C9H17N.C8H15N.C7H13N.C6H12N2/c1-10-8-4-2-5-9(10)7-3-6-8;1-2-8-3-6-9(5-1)7-4-8;1-4-8-5-2-7(1)3-6-8;1-2-8-5-3-7(1)4-6-8/h8-9H,2-7H2,1H3;8H,1-7H2;7H,1-6H2;1-6H2
InChIKeyADBJBRGWRBHCQF-UHFFFAOYSA-N
MW487.82 g/mol
LogP4.24
Rot. Bonds

About 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane

1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 157076819) has the molecular formula C30H57N5 and a molecular weight of 487.82 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID157076819
Molecular FormulaC30H57N5
Molecular Weight487.82 g/mol
Exact Mass487.46
IUPAC Name1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
SMILESC1CC2CCN(C1)CC2.C1CN2CCC1CC2.C1CN2CCN1CC2.CN1C2CCCC1CCC2
InChIInChI=1S/C9H17N.C8H15N.C7H13N.C6H12N2/c1-10-8-4-2-5-9(10)7-3-6-8;1-2-8-3-6-9(5-1)7-4-8;1-4-8-5-2-7(1)3-6-8;1-2-8-5-3-7(1)4-6-8/h8-9H,2-7H2,1H3;8H,1-7H2;7H,1-6H2;1-6H2
InChIKeyADBJBRGWRBHCQF-UHFFFAOYSA-N
XLogP4.24
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane with MolForge

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Related Compounds

methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
11-methyl-11-azabicyclo[4.4.1]undecane
CID 580203
1-azabicyclo[6.2.2]dodecane;methane
CID 157160878
8-methyl-8-azabicyclo[3.2.1]octane;2-methylpropane
CID 177033285
CID 157364506
CID 157364506
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
sodium 1-azabicyclo[2.2.2]octane
CID 172740367
1-azabicyclo[8.8.8]hexacosane
CID 66583548
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
2-propan-2-yl-2-azabicyclo[3.3.2]decane
CID 21027698
acetylene;1-azabicyclo[2.2.2]octane
CID 144774669

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane (CID 157076819) is 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane is C1CC2CCN(C1)CC2.C1CN2CCC1CC2.C1CN2CCN1CC2.CN1C2CCCC1CCC2.
What is the InChIKey of 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is ADBJBRGWRBHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.C7H13N.C6H12N2/c1-10-8-4-2-5-9(10)7-3-6-8;1-2-8-3-6-9(5-1)7-4-8;1-4-8-5-2-7(1)3-6-8;1-2-8-5-3-7(1)4-6-8/h8-9H,2-7H2,1H3;8H,1-7H2;7H,1-6H2;1-6H2.
What are the key properties of 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane?
1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 487.82 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 157076819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).