2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine

C14H24N4 — CID 144995485

IUPAC2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
SMILESCCC1=CC(N)C=CC(N2CCN(CC)CC2)=N1
InChIInChI=1S/C14H24N4/c1-3-13-11-12(15)5-6-14(16-13)18-9-7-17(4-2)8-10-18/h5-6,11-12H,3-4,7-10,15H2,1-2H3
InChIKeyMUOXZZXHESOGEH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.21
Rot. Bonds2

About 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine

2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine (PubChem CID 144995485) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine.

Molecular Properties

Compound Name2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
PubChem CID144995485
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
SMILESCCC1=CC(N)C=CC(N2CCN(CC)CC2)=N1
InChIInChI=1S/C14H24N4/c1-3-13-11-12(15)5-6-14(16-13)18-9-7-17(4-2)8-10-18/h5-6,11-12H,3-4,7-10,15H2,1-2H3
InChIKeyMUOXZZXHESOGEH-UHFFFAOYSA-N
XLogP1.21
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-piperazin-1-yl-4H-azepine
CID 54476477
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
CID 91305367
N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine
CID 129045666
7-(4-methylpiperazin-1-yl)-4H-azepine
CID 143306016
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 144562517
ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 144622151
(2Z)-2-(3,4-dimethylpiperazin-2-ylidene)ethanimidamide
CID 145573552
1-[(5Z,6E)-5-ethylidene-6-prop-2-enylidene-2-pyridinyl]piperazine
CID 156377873
3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine
CID 163561131
(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 169205013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine?
The IUPAC name of 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine (CID 144995485) is 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine.
What is the SMILES notation for 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine?
The canonical SMILES for 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine is CCC1=CC(N)C=CC(N2CCN(CC)CC2)=N1.
What is the InChIKey of 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine?
The InChIKey is MUOXZZXHESOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-13-11-12(15)5-6-14(16-13)18-9-7-17(4-2)8-10-18/h5-6,11-12H,3-4,7-10,15H2,1-2H3.
What are the key properties of 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine?
2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine is sourced from PubChem (CID 144995485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).