6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine

C12H20N4 — CID 134355345

IUPAC6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
SMILESCCN1CCN(C2=CCC=C(N)N=C2)CC1
InChIInChI=1S/C12H20N4/c1-2-15-6-8-16(9-7-15)11-4-3-5-12(13)14-10-11/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyCZMUUAJWSQSZAB-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.78
Rot. Bonds2

About 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine

6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine (PubChem CID 134355345) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
PubChem CID134355345
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
SMILESCCN1CCN(C2=CCC=C(N)N=C2)CC1
InChIInChI=1S/C12H20N4/c1-2-15-6-8-16(9-7-15)11-4-3-5-12(13)14-10-11/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyCZMUUAJWSQSZAB-UHFFFAOYSA-N
XLogP0.78
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine (CID 134355345) is 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine is CCN1CCN(C2=CCC=C(N)N=C2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine?
The InChIKey is CZMUUAJWSQSZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-15-6-8-16(9-7-15)11-4-3-5-12(13)14-10-11/h4-5,10H,2-3,6-9,13H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine?
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine is sourced from PubChem (CID 134355345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).