2-(1H-azepin-2-yl)ethanamine

C8H12N2 — CID 70255964

IUPAC2-(1H-azepin-2-yl)ethanamine
SMILESNCCC1=CC=CC=CN1
InChIInChI=1S/C8H12N2/c9-6-5-8-4-2-1-3-7-10-8/h1-4,7,10H,5-6,9H2
InChIKeyFBWSLBLEZAQCMU-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.89
Rot. Bonds2

About 2-(1H-azepin-2-yl)ethanamine

2-(1H-azepin-2-yl)ethanamine (PubChem CID 70255964) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(1H-azepin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-azepin-2-yl)ethanamine
PubChem CID70255964
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(1H-azepin-2-yl)ethanamine
SMILESNCCC1=CC=CC=CN1
InChIInChI=1S/C8H12N2/c9-6-5-8-4-2-1-3-7-10-8/h1-4,7,10H,5-6,9H2
InChIKeyFBWSLBLEZAQCMU-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-azepin-2-yl)ethanamine?
The IUPAC name of 2-(1H-azepin-2-yl)ethanamine (CID 70255964) is 2-(1H-azepin-2-yl)ethanamine.
What is the SMILES notation for 2-(1H-azepin-2-yl)ethanamine?
The canonical SMILES for 2-(1H-azepin-2-yl)ethanamine is NCCC1=CC=CC=CN1.
What is the InChIKey of 2-(1H-azepin-2-yl)ethanamine?
The InChIKey is FBWSLBLEZAQCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-5-8-4-2-1-3-7-10-8/h1-4,7,10H,5-6,9H2.
What are the key properties of 2-(1H-azepin-2-yl)ethanamine?
2-(1H-azepin-2-yl)ethanamine has a molecular weight of 136.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-azepin-2-yl)ethanamine is sourced from PubChem (CID 70255964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).