2-(1-pyridin-2-ylcycloheptyl)ethanamine

C14H22N2 — CID 83821963

IUPAC2-(1-pyridin-2-ylcycloheptyl)ethanamine
SMILESNCCC1(c2ccccn2)CCCCCC1
InChIInChI=1S/C14H22N2/c15-11-10-14(8-4-1-2-5-9-14)13-7-3-6-12-16-13/h3,6-7,12H,1-2,4-5,8-11,15H2
InChIKeyVROZAOGAWUAJPD-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.02
Rot. Bonds3

About 2-(1-pyridin-2-ylcycloheptyl)ethanamine

2-(1-pyridin-2-ylcycloheptyl)ethanamine (PubChem CID 83821963) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylcycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(1-pyridin-2-ylcycloheptyl)ethanamine
PubChem CID83821963
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(1-pyridin-2-ylcycloheptyl)ethanamine
SMILESNCCC1(c2ccccn2)CCCCCC1
InChIInChI=1S/C14H22N2/c15-11-10-14(8-4-1-2-5-9-14)13-7-3-6-12-16-13/h3,6-7,12H,1-2,4-5,8-11,15H2
InChIKeyVROZAOGAWUAJPD-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylcycloheptyl)ethanamine?
The IUPAC name of 2-(1-pyridin-2-ylcycloheptyl)ethanamine (CID 83821963) is 2-(1-pyridin-2-ylcycloheptyl)ethanamine.
What is the SMILES notation for 2-(1-pyridin-2-ylcycloheptyl)ethanamine?
The canonical SMILES for 2-(1-pyridin-2-ylcycloheptyl)ethanamine is NCCC1(c2ccccn2)CCCCCC1.
What is the InChIKey of 2-(1-pyridin-2-ylcycloheptyl)ethanamine?
The InChIKey is VROZAOGAWUAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-11-10-14(8-4-1-2-5-9-14)13-7-3-6-12-16-13/h3,6-7,12H,1-2,4-5,8-11,15H2.
What are the key properties of 2-(1-pyridin-2-ylcycloheptyl)ethanamine?
2-(1-pyridin-2-ylcycloheptyl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylcycloheptyl)ethanamine is sourced from PubChem (CID 83821963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).