7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane

C10H20N2 — CID 102547992

IUPAC7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCN1CC2CNC(C)C(C2)C1
InChIInChI=1S/C10H20N2/c1-3-12-6-9-4-10(7-12)8(2)11-5-9/h8-11H,3-7H2,1-2H3
InChIKeyNPNBXJNYUMJHCF-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds1

About 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane

7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 102547992) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID102547992
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCN1CC2CNC(C)C(C2)C1
InChIInChI=1S/C10H20N2/c1-3-12-6-9-4-10(7-12)8(2)11-5-9/h8-11H,3-7H2,1-2H3
InChIKeyNPNBXJNYUMJHCF-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,5R)-2-methyl-7-pentyl-3,7-diazabicyclo[3.3.1]nonane
CID 124746802
(1S,2R,5S)-2-methyl-7-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 129373109
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
2-methyl-3-azabicyclo[3.2.1]octane
CID 20522177
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
11-ethyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 165351264
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075
3-ethyl-6,9-dimethyl-3,6-diazabicyclo[3.2.2]nonane
CID 166949156
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
CID 146427444
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane (CID 102547992) is 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane is CCN1CC2CNC(C)C(C2)C1.
What is the InChIKey of 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is NPNBXJNYUMJHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-12-6-9-4-10(7-12)8(2)11-5-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane?
7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 168.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 102547992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).