5-ethyl-6-methyl-4H-azepin-7-amine

C9H14N2 — CID 91252481

IUPAC5-ethyl-6-methyl-4H-azepin-7-amine
SMILESCCC1=C(C)C(N)=NC=CC1
InChIInChI=1S/C9H14N2/c1-3-8-5-4-6-11-9(10)7(8)2/h4,6H,3,5H2,1-2H3,(H2,10,11)
InChIKeyDHSAWYJBTBWCCQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.99
Rot. Bonds1

About 5-ethyl-6-methyl-4H-azepin-7-amine

5-ethyl-6-methyl-4H-azepin-7-amine (PubChem CID 91252481) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethyl-6-methyl-4H-azepin-7-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-4H-azepin-7-amine
PubChem CID91252481
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-ethyl-6-methyl-4H-azepin-7-amine
SMILESCCC1=C(C)C(N)=NC=CC1
InChIInChI=1S/C9H14N2/c1-3-8-5-4-6-11-9(10)7(8)2/h4,6H,3,5H2,1-2H3,(H2,10,11)
InChIKeyDHSAWYJBTBWCCQ-UHFFFAOYSA-N
XLogP1.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-4H-azepin-7-amine?
The IUPAC name of 5-ethyl-6-methyl-4H-azepin-7-amine (CID 91252481) is 5-ethyl-6-methyl-4H-azepin-7-amine.
What is the SMILES notation for 5-ethyl-6-methyl-4H-azepin-7-amine?
The canonical SMILES for 5-ethyl-6-methyl-4H-azepin-7-amine is CCC1=C(C)C(N)=NC=CC1.
What is the InChIKey of 5-ethyl-6-methyl-4H-azepin-7-amine?
The InChIKey is DHSAWYJBTBWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-5-4-6-11-9(10)7(8)2/h4,6H,3,5H2,1-2H3,(H2,10,11).
What are the key properties of 5-ethyl-6-methyl-4H-azepin-7-amine?
5-ethyl-6-methyl-4H-azepin-7-amine has a molecular weight of 150.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-4H-azepin-7-amine is sourced from PubChem (CID 91252481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).