2-(3H-azepin-5-yl)ethanamine

C8H12N2 — CID 143110177

IUPAC2-(3H-azepin-5-yl)ethanamine
SMILESNCCC1=CCC=NC=C1
InChIInChI=1S/C8H12N2/c9-5-3-8-2-1-6-10-7-4-8/h2,4,6-7H,1,3,5,9H2
InChIKeyGMYNXEFAAGRFBQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds2

About 2-(3H-azepin-5-yl)ethanamine

2-(3H-azepin-5-yl)ethanamine (PubChem CID 143110177) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(3H-azepin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3H-azepin-5-yl)ethanamine
PubChem CID143110177
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(3H-azepin-5-yl)ethanamine
SMILESNCCC1=CCC=NC=C1
InChIInChI=1S/C8H12N2/c9-5-3-8-2-1-6-10-7-4-8/h2,4,6-7H,1,3,5,9H2
InChIKeyGMYNXEFAAGRFBQ-UHFFFAOYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1E,3E,5Z)-3-(2-aminoethyl)-5-(2-iminoethylidene)hepta-1,3-diene-1,7-diamine
CID 177544509
3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
6H-1,4-benzodiazepin-7-amine
CID 68513910
3-(3H-azepin-7-yl)propan-1-amine
CID 90923129
5-ethyl-3H-azepine
CID 90996471
(1E,3Z)-2-(2,3-dihydropyridin-5-yl)hexa-1,3,5-trien-1-amine
CID 117827823
2-(4H-azepin-5-yl)ethanamine
CID 129037495
8-Methylidene-3,7-dihydropyrido[4,3-b]azepine
CID 129144955
(Z)-2-(6-methylideneazepin-3-yl)but-2-en-1-imine
CID 129225444
(1Z,3Z,6E,8Z)-6-methyl-5-methylidene-10-methyliminodeca-1,3,6,8-tetraen-1-amine
CID 130282245
(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine
CID 130329270
N-ethenyl-1-(5-ethenyl-4H-azepin-3-yl)methanimine
CID 130351026

Frequently Asked Questions

What is the IUPAC name of 2-(3H-azepin-5-yl)ethanamine?
The IUPAC name of 2-(3H-azepin-5-yl)ethanamine (CID 143110177) is 2-(3H-azepin-5-yl)ethanamine.
What is the SMILES notation for 2-(3H-azepin-5-yl)ethanamine?
The canonical SMILES for 2-(3H-azepin-5-yl)ethanamine is NCCC1=CCC=NC=C1.
What is the InChIKey of 2-(3H-azepin-5-yl)ethanamine?
The InChIKey is GMYNXEFAAGRFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-3-8-2-1-6-10-7-4-8/h2,4,6-7H,1,3,5,9H2.
What are the key properties of 2-(3H-azepin-5-yl)ethanamine?
2-(3H-azepin-5-yl)ethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-azepin-5-yl)ethanamine is sourced from PubChem (CID 143110177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).