N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine

C13H20N2 — CID 83832669

IUPACN-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine
SMILESCNCCc1cncc2c1CCCCC2
InChIInChI=1S/C13H20N2/c1-14-8-7-12-10-15-9-11-5-3-2-4-6-13(11)12/h9-10,14H,2-8H2,1H3
InChIKeyJEUMEDPYAWIKIU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.11
Rot. Bonds3

About N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine

N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine (PubChem CID 83832669) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine
PubChem CID83832669
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine
SMILESCNCCc1cncc2c1CCCCC2
InChIInChI=1S/C13H20N2/c1-14-8-7-12-10-15-9-11-5-3-2-4-6-13(11)12/h9-10,14H,2-8H2,1H3
InChIKeyJEUMEDPYAWIKIU-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine (CID 83832669) is N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine is CNCCc1cncc2c1CCCCC2.
What is the InChIKey of N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine?
The InChIKey is JEUMEDPYAWIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-8-7-12-10-15-9-11-5-3-2-4-6-13(11)12/h9-10,14H,2-8H2,1H3.
What are the key properties of N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine?
N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine is sourced from PubChem (CID 83832669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).