azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane

C12H29N3 — CID 139489838

IUPACazane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane
SMILESCCC1CN2CC(C)(C1)CC2CC.N.N
InChIInChI=1S/C12H23N.2H3N/c1-4-10-6-12(3)7-11(5-2)13(8-10)9-12;;/h10-11H,4-9H2,1-3H3;2*1H3
InChIKeyLAKIWQWZKFAMTE-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.23
Rot. Bonds2

About azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane

azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane (PubChem CID 139489838) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameazane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane
PubChem CID139489838
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Nameazane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane
SMILESCCC1CN2CC(C)(C1)CC2CC.N.N
InChIInChI=1S/C12H23N.2H3N/c1-4-10-6-12(3)7-11(5-2)13(8-10)9-12;;/h10-11H,4-9H2,1-3H3;2*1H3
InChIKeyLAKIWQWZKFAMTE-UHFFFAOYSA-N
XLogP3.23
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diethyl-1,4,4,8,8,10-hexamethylazecane
CID 123697519
1,3-diethyl-1-methylcyclobutane
CID 21053928
4-ethyl-2,2-dimethyl-1-propan-2-ylpyrrolidine
CID 170052638
5-ethyl-1,3,3-trimethylazepane
CID 155199677
3-ethyl-1-azabicyclo[3.1.0]hexane
CID 59715797
3-ethyl-1,1-difluorocyclobutane
CID 67229999
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
CID 123384644
5-ethyl-1,3,3-trimethylazocane
CID 91139263
2-ethyl-7-[(1-methylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656955
3-ethyl-1,5-dimethyl-1-azoniabicyclo[3.2.1]octane
CID 123400592
1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine
CID 66759552
(2S,4R)-2,4-diethyl-1-methylpyrrolidine
CID 176937833

Frequently Asked Questions

What is the IUPAC name of azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane?
The IUPAC name of azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane (CID 139489838) is azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane?
The canonical SMILES for azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane is CCC1CN2CC(C)(C1)CC2CC.N.N.
What is the InChIKey of azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane?
The InChIKey is LAKIWQWZKFAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.2H3N/c1-4-10-6-12(3)7-11(5-2)13(8-10)9-12;;/h10-11H,4-9H2,1-3H3;2*1H3.
What are the key properties of azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane?
azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane has a molecular weight of 215.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,7-diethyl-5-methyl-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 139489838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).