4-ethyl-3H-azepin-2-amine

C8H12N2 — CID 118297635

IUPAC4-ethyl-3H-azepin-2-amine
SMILESCCC1=CC=CN=C(N)C1
InChIInChI=1S/C8H12N2/c1-2-7-4-3-5-10-8(9)6-7/h3-5H,2,6H2,1H3,(H2,9,10)
InChIKeyQRIURGYDEUYECL-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds1

About 4-ethyl-3H-azepin-2-amine

4-ethyl-3H-azepin-2-amine (PubChem CID 118297635) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-ethyl-3H-azepin-2-amine.

Molecular Properties

Compound Name4-ethyl-3H-azepin-2-amine
PubChem CID118297635
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-ethyl-3H-azepin-2-amine
SMILESCCC1=CC=CN=C(N)C1
InChIInChI=1S/C8H12N2/c1-2-7-4-3-5-10-8(9)6-7/h3-5H,2,6H2,1H3,(H2,9,10)
InChIKeyQRIURGYDEUYECL-UHFFFAOYSA-N
XLogP1.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3H-azepin-2-amine?
The IUPAC name of 4-ethyl-3H-azepin-2-amine (CID 118297635) is 4-ethyl-3H-azepin-2-amine.
What is the SMILES notation for 4-ethyl-3H-azepin-2-amine?
The canonical SMILES for 4-ethyl-3H-azepin-2-amine is CCC1=CC=CN=C(N)C1.
What is the InChIKey of 4-ethyl-3H-azepin-2-amine?
The InChIKey is QRIURGYDEUYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-4-3-5-10-8(9)6-7/h3-5H,2,6H2,1H3,(H2,9,10).
What are the key properties of 4-ethyl-3H-azepin-2-amine?
4-ethyl-3H-azepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3H-azepin-2-amine is sourced from PubChem (CID 118297635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).