6-ethyl-3,4-dimethylazepin-4-amine

C10H16N2 — CID 155203155

IUPAC6-ethyl-3,4-dimethylazepin-4-amine
SMILESCCC1=CC(C)(N)C(C)=CN=C1
InChIInChI=1S/C10H16N2/c1-4-9-5-10(3,11)8(2)6-12-7-9/h5-7H,4,11H2,1-3H3
InChIKeyZLHPOZDIUJVSIP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds1

About 6-ethyl-3,4-dimethylazepin-4-amine

6-ethyl-3,4-dimethylazepin-4-amine (PubChem CID 155203155) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-ethyl-3,4-dimethylazepin-4-amine.

Molecular Properties

Compound Name6-ethyl-3,4-dimethylazepin-4-amine
PubChem CID155203155
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6-ethyl-3,4-dimethylazepin-4-amine
SMILESCCC1=CC(C)(N)C(C)=CN=C1
InChIInChI=1S/C10H16N2/c1-4-9-5-10(3,11)8(2)6-12-7-9/h5-7H,4,11H2,1-3H3
InChIKeyZLHPOZDIUJVSIP-UHFFFAOYSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
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-dimethylazepin-4-amine?
The IUPAC name of 6-ethyl-3,4-dimethylazepin-4-amine (CID 155203155) is 6-ethyl-3,4-dimethylazepin-4-amine.
What is the SMILES notation for 6-ethyl-3,4-dimethylazepin-4-amine?
The canonical SMILES for 6-ethyl-3,4-dimethylazepin-4-amine is CCC1=CC(C)(N)C(C)=CN=C1.
What is the InChIKey of 6-ethyl-3,4-dimethylazepin-4-amine?
The InChIKey is ZLHPOZDIUJVSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-5-10(3,11)8(2)6-12-7-9/h5-7H,4,11H2,1-3H3.
What are the key properties of 6-ethyl-3,4-dimethylazepin-4-amine?
6-ethyl-3,4-dimethylazepin-4-amine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 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-dimethylazepin-4-amine is sourced from PubChem (CID 155203155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).