3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane

C32H62N6 — CID 158727571

IUPAC3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane
SMILESCC1C2CCC1CN(C)C2.CC1CC2CCC(C1)N2C.CN1CC2(C1)CN(C)C2.CN1CC2CC1CN2C
InChIInChI=1S/2C9H17N.2C7H14N2/c1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-8-3-4-9(6-7)10(8)2;1-8-3-7(4-8)5-9(2)6-7;1-8-4-7-3-6(8)5-9(7)2/h2*7-9H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyIKRWXFDOCDLLLM-UHFFFAOYSA-N
MW530.89 g/mol
LogP3.34
Rot. Bonds

About 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane

3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane (PubChem CID 158727571) has the molecular formula C32H62N6 and a molecular weight of 530.89 g/mol. Its IUPAC name is 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane
PubChem CID158727571
Molecular FormulaC32H62N6
Molecular Weight530.89 g/mol
Exact Mass530.50
IUPAC Name3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane
SMILESCC1C2CCC1CN(C)C2.CC1CC2CCC(C1)N2C.CN1CC2(C1)CN(C)C2.CN1CC2CC1CN2C
InChIInChI=1S/2C9H17N.2C7H14N2/c1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-8-3-4-9(6-7)10(8)2;1-8-3-7(4-8)5-9(2)6-7;1-8-4-7-3-6(8)5-9(7)2/h2*7-9H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyIKRWXFDOCDLLLM-UHFFFAOYSA-N
XLogP3.34
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane with MolForge

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Related Compounds

3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,9-dimethyl-3-azabicyclo[3.3.1]nonane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;7,9-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane;7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
CID 157287579
(1R,5S)-3,8-dimethyl-8-azabicyclo[3.2.1]octane;methane;(1R,5S)-3,3,8-trimethyl-8-azabicyclo[3.2.1]octane
CID 159654243
(1R,4R)-2-methyl-5-(1-methylazetidin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 167009611
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
CID 129108201
3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 115013655
2,5,6-trimethyl-2-azabicyclo[2.2.2]octane
CID 20664057
N-(3,5-dimethylcyclohexyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64731674
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 71031724

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane (CID 158727571) is 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane is CC1C2CCC1CN(C)C2.CC1CC2CCC(C1)N2C.CN1CC2(C1)CN(C)C2.CN1CC2CC1CN2C.
What is the InChIKey of 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is IKRWXFDOCDLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.2C7H14N2/c1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-8-3-4-9(6-7)10(8)2;1-8-3-7(4-8)5-9(2)6-7;1-8-4-7-3-6(8)5-9(7)2/h2*7-9H,3-6H2,1-2H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane?
3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 530.89 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2,6-dimethyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 158727571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).