1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine

C10H19N — CID 123477360

IUPAC1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine
SMILESCC(N)C12CC(CCC1C)C2
InChIInChI=1S/C10H19N/c1-7-3-4-9-5-10(7,6-9)8(2)11/h7-9H,3-6,11H2,1-2H3
InChIKeyLYIBIPIMUHOGCH-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.16
Rot. Bonds1

About 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine

1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine (PubChem CID 123477360) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine
PubChem CID123477360
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine
SMILESCC(N)C12CC(CCC1C)C2
InChIInChI=1S/C10H19N/c1-7-3-4-9-5-10(7,6-9)8(2)11/h7-9H,3-6,11H2,1-2H3
InChIKeyLYIBIPIMUHOGCH-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine?
The IUPAC name of 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine (CID 123477360) is 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine.
What is the SMILES notation for 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine?
The canonical SMILES for 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine is CC(N)C12CC(CCC1C)C2.
What is the InChIKey of 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine?
The InChIKey is LYIBIPIMUHOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7-3-4-9-5-10(7,6-9)8(2)11/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine?
1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-bicyclo[3.1.1]heptanyl)ethanamine is sourced from PubChem (CID 123477360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).