3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane

C9H17N — CID 90707566

IUPAC3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane
SMILESCCN1CCC2(C)CC2C1
InChIInChI=1S/C9H17N/c1-3-10-5-4-9(2)6-8(9)7-10/h8H,3-7H2,1-2H3
InChIKeyPUPXRWDZMNZFSR-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds1

About 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane

3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 90707566) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID90707566
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane
SMILESCCN1CCC2(C)CC2C1
InChIInChI=1S/C9H17N/c1-3-10-5-4-9(2)6-8(9)7-10/h8H,3-7H2,1-2H3
InChIKeyPUPXRWDZMNZFSR-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-4,4-dimethylpiperidine;hydrate
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(1-ethyl-4-methylpiperidin-4-yl)methanol
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2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine
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3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
[(3R)-1-ethyl-4,4-difluoropiperidin-3-yl]phosphane
CID 174264008
1-(1-ethylpiperidin-3-yl)cyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane (CID 90707566) is 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane is CCN1CCC2(C)CC2C1.
What is the InChIKey of 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is PUPXRWDZMNZFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-10-5-4-9(2)6-8(9)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane?
3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 90707566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).