4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C8H16N2 — CID 15453851

IUPAC4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCC1CCN=C(N)CC1
InChIInChI=1S/C8H16N2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3,(H2,9,10)
InChIKeyIFTILCWRECQDOJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.55
Rot. Bonds1

About 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 15453851) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID15453851
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCC1CCN=C(N)CC1
InChIInChI=1S/C8H16N2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3,(H2,9,10)
InChIKeyIFTILCWRECQDOJ-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 15453851) is 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CCC1CCN=C(N)CC1.
What is the InChIKey of 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is IFTILCWRECQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3,(H2,9,10).
What are the key properties of 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 140.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 15453851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).