ethane;6-ethyl-6-methylazepin-2-amine

C13H26N2 — CID 143876733

IUPACethane;6-ethyl-6-methylazepin-2-amine
SMILESCC.CC.CCC1(C)C=CC=C(N)N=C1
InChIInChI=1S/C9H14N2.2C2H6/c1-3-9(2)6-4-5-8(10)11-7-9;2*1-2/h4-7H,3,10H2,1-2H3;2*1-2H3
InChIKeyAYIBKLYGBDHTPX-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds1

About ethane;6-ethyl-6-methylazepin-2-amine

ethane;6-ethyl-6-methylazepin-2-amine (PubChem CID 143876733) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;6-ethyl-6-methylazepin-2-amine.

Molecular Properties

Compound Nameethane;6-ethyl-6-methylazepin-2-amine
PubChem CID143876733
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;6-ethyl-6-methylazepin-2-amine
SMILESCC.CC.CCC1(C)C=CC=C(N)N=C1
InChIInChI=1S/C9H14N2.2C2H6/c1-3-9(2)6-4-5-8(10)11-7-9;2*1-2/h4-7H,3,10H2,1-2H3;2*1-2H3
InChIKeyAYIBKLYGBDHTPX-UHFFFAOYSA-N
XLogP3.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-6-methylazepin-2-amine?
The IUPAC name of ethane;6-ethyl-6-methylazepin-2-amine (CID 143876733) is ethane;6-ethyl-6-methylazepin-2-amine.
What is the SMILES notation for ethane;6-ethyl-6-methylazepin-2-amine?
The canonical SMILES for ethane;6-ethyl-6-methylazepin-2-amine is CC.CC.CCC1(C)C=CC=C(N)N=C1.
What is the InChIKey of ethane;6-ethyl-6-methylazepin-2-amine?
The InChIKey is AYIBKLYGBDHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-3-9(2)6-4-5-8(10)11-7-9;2*1-2/h4-7H,3,10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-ethyl-6-methylazepin-2-amine?
ethane;6-ethyl-6-methylazepin-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-6-methylazepin-2-amine is sourced from PubChem (CID 143876733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).