3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine

C12H20N4 — CID 163561131

IUPAC3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine
SMILESCCC1=CN=C(N2CCNCC2)C=C(N)C1
InChIInChI=1S/C12H20N4/c1-2-10-7-11(13)8-12(15-9-10)16-5-3-14-4-6-16/h8-9,14H,2-7,13H2,1H3
InChIKeyFRHMUSVVUMGNJL-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.83
Rot. Bonds1

About 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine

3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine (PubChem CID 163561131) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine.

Molecular Properties

Compound Name3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine
PubChem CID163561131
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine
SMILESCCC1=CN=C(N2CCNCC2)C=C(N)C1
InChIInChI=1S/C12H20N4/c1-2-10-7-11(13)8-12(15-9-10)16-5-3-14-4-6-16/h8-9,14H,2-7,13H2,1H3
InChIKeyFRHMUSVVUMGNJL-UHFFFAOYSA-N
XLogP0.83
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
CID 91305367
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
CID 144995485
(3E)-N-[(E)-but-1-enyl]-4-ethyl-3-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-2-amine
CID 168184526
(3E)-N-[(E)-but-1-enyl]-4-ethyl-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine;ethane
CID 168185344
(3E)-N-[(E)-but-1-enyl]-4-ethyl-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine
CID 168185345
(2E)-N-[(E)-but-1-enyl]-N'-methyl-3-methylidene-2-(1-piperazin-1-ylethylidene)pentanimidamide
CID 168185604
(3E)-N-[(E)-but-1-enyl]-4-[(1E)-1-(dimethylamino)-4-methylhexa-1,3-dien-2-yl]-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine
CID 168186307
(Z)-N-methyl-1-piperazin-1-yl-1-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 169205013
(3S)-1-[C-(2-amino-3-methylbut-1-enyl)-N-methylcarbonimidoyl]piperidin-3-amine
CID 173510966

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine?
The IUPAC name of 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine (CID 163561131) is 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine.
What is the SMILES notation for 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine?
The canonical SMILES for 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine is CCC1=CN=C(N2CCNCC2)C=C(N)C1.
What is the InChIKey of 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine?
The InChIKey is FRHMUSVVUMGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-10-7-11(13)8-12(15-9-10)16-5-3-14-4-6-16/h8-9,14H,2-7,13H2,1H3.
What are the key properties of 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine?
3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine has a molecular weight of 220.32 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine is sourced from PubChem (CID 163561131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).