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

C8H17ClN2 — CID 45259677

IUPAC6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCCC1CCCCN=C1N.Cl
InChIInChI=1S/C8H16N2.ClH/c1-2-7-5-3-4-6-10-8(7)9;/h7H,2-6H2,1H3,(H2,9,10);1H
InChIKeyJAYRIVWAKATUQZ-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.98
Rot. Bonds1

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

6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 45259677) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID45259677
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCCC1CCCCN=C1N.Cl
InChIInChI=1S/C8H16N2.ClH/c1-2-7-5-3-4-6-10-8(7)9;/h7H,2-6H2,1H3,(H2,9,10);1H
InChIKeyJAYRIVWAKATUQZ-UHFFFAOYSA-N
XLogP1.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The IUPAC name of 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 45259677) is 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is CCC1CCCCN=C1N.Cl.
What is the InChIKey of 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is JAYRIVWAKATUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-2-7-5-3-4-6-10-8(7)9;/h7H,2-6H2,1H3,(H2,9,10);1H.
What are the key properties of 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is sourced from PubChem (CID 45259677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).