N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide

C12H22BrN3 — CID 152982014

IUPACN-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide
SMILESCCN1CCN(C/C(C)=C/N=C(\C)Br)CC1
InChIInChI=1S/C12H22BrN3/c1-4-15-5-7-16(8-6-15)10-11(2)9-14-12(3)13/h9H,4-8,10H2,1-3H3/b11-9+,14-12+
InChIKeyUUOKAYTUVBQNBF-HUJVCGDBSA-N
MW288.23 g/mol
LogP2.34
Rot. Bonds4

About N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide

N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide (PubChem CID 152982014) has the molecular formula C12H22BrN3 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide.

Molecular Properties

Compound NameN-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide
PubChem CID152982014
Molecular FormulaC12H22BrN3
Molecular Weight288.23 g/mol
Exact Mass287.10
IUPAC NameN-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide
SMILESCCN1CCN(C/C(C)=C/N=C(\C)Br)CC1
InChIInChI=1S/C12H22BrN3/c1-4-15-5-7-16(8-6-15)10-11(2)9-14-12(3)13/h9H,4-8,10H2,1-3H3/b11-9+,14-12+
InChIKeyUUOKAYTUVBQNBF-HUJVCGDBSA-N
XLogP2.34
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide?
The IUPAC name of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide (CID 152982014) is N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide.
What is the SMILES notation for N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide?
The canonical SMILES for N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide is CCN1CCN(C/C(C)=C/N=C(\C)Br)CC1.
What is the InChIKey of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide?
The InChIKey is UUOKAYTUVBQNBF-HUJVCGDBSA-N. The full InChI is InChI=1S/C12H22BrN3/c1-4-15-5-7-16(8-6-15)10-11(2)9-14-12(3)13/h9H,4-8,10H2,1-3H3/b11-9+,14-12+.
What are the key properties of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide?
N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide has a molecular weight of 288.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]ethanimidoyl bromide is sourced from PubChem (CID 152982014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).