2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine

C11H17N3 — CID 143997754

IUPAC2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine
SMILESNCCC1=NC2=C(C=CC1)CCCN2
InChIInChI=1S/C11H17N3/c12-7-6-10-5-1-3-9-4-2-8-13-11(9)14-10/h1,3,13H,2,4-8,12H2
InChIKeyBJJZWEBYWJYBQD-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.33
Rot. Bonds2

About 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine

2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine (PubChem CID 143997754) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine
PubChem CID143997754
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine
SMILESNCCC1=NC2=C(C=CC1)CCCN2
InChIInChI=1S/C11H17N3/c12-7-6-10-5-1-3-9-4-2-8-13-11(9)14-10/h1,3,13H,2,4-8,12H2
InChIKeyBJJZWEBYWJYBQD-UHFFFAOYSA-N
XLogP1.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine?
The IUPAC name of 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine (CID 143997754) is 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine.
What is the SMILES notation for 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine?
The canonical SMILES for 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine is NCCC1=NC2=C(C=CC1)CCCN2.
What is the InChIKey of 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine?
The InChIKey is BJJZWEBYWJYBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-7-6-10-5-1-3-9-4-2-8-13-11(9)14-10/h1,3,13H,2,4-8,12H2.
What are the key properties of 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine?
2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,7-tetrahydro-1H-pyrido[2,3-b]azepin-8-yl)ethanamine is sourced from PubChem (CID 143997754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).