N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine

C11H19N — CID 160929174

IUPACN-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine
SMILESCNCCC1CC2C1C1C(C)C21
InChIInChI=1S/C11H19N/c1-6-9-8-5-7(3-4-12-2)11(8)10(6)9/h6-12H,3-5H2,1-2H3
InChIKeySTANZLBHYYDQFX-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine

N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine (PubChem CID 160929174) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine
PubChem CID160929174
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine
SMILESCNCCC1CC2C1C1C(C)C21
InChIInChI=1S/C11H19N/c1-6-9-8-5-7(3-4-12-2)11(8)10(6)9/h6-12H,3-5H2,1-2H3
InChIKeySTANZLBHYYDQFX-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine?
The IUPAC name of N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine (CID 160929174) is N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine?
The canonical SMILES for N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine is CNCCC1CC2C1C1C(C)C21.
What is the InChIKey of N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine?
The InChIKey is STANZLBHYYDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9-8-5-7(3-4-12-2)11(8)10(6)9/h6-12H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine?
N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine has a molecular weight of 165.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-6-tricyclo[3.2.0.02,4]heptanyl)ethanamine is sourced from PubChem (CID 160929174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).