(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide

C11H23N7 — CID 145185672

IUPAC(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide
SMILES[H]/N=C(N)/N=C(N)\C=C/NCCN1CCN(C)CC1
InChIInChI=1S/C11H23N7/c1-17-6-8-18(9-7-17)5-4-15-3-2-10(12)16-11(13)14/h2-3,15H,4-9H2,1H3,(H5,12,13,14,16)/b3-2-
InChIKeyXXXLSRYFWIGANK-IHWYPQMZSA-N
MW253.35 g/mol
LogP-1.41
Rot. Bonds5

About (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide

(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide (PubChem CID 145185672) has the molecular formula C11H23N7 and a molecular weight of 253.35 g/mol. Its IUPAC name is (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide
PubChem CID145185672
Molecular FormulaC11H23N7
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide
SMILES[H]/N=C(N)/N=C(N)\C=C/NCCN1CCN(C)CC1
InChIInChI=1S/C11H23N7/c1-17-6-8-18(9-7-17)5-4-15-3-2-10(12)16-11(13)14/h2-3,15H,4-9H2,1H3,(H5,12,13,14,16)/b3-2-
InChIKeyXXXLSRYFWIGANK-IHWYPQMZSA-N
XLogP-1.41
TPSA106.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-C-ethenyl-N-(1-fluoroethenyl)carbonimidoyl]piperazin-1-yl]ethanamine
CID 144288885
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
4-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 140186817
(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 142094873
ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
CID 142443940
N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
CID 143430211
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774
(E)-N-[(E)-1-chloroprop-1-enyl]-1-piperazin-1-ylprop-2-en-1-imine
CID 144201687

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide?
The IUPAC name of (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide (CID 145185672) is (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide.
What is the SMILES notation for (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide?
The canonical SMILES for (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide is [H]/N=C(N)/N=C(N)\C=C/NCCN1CCN(C)CC1.
What is the InChIKey of (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide?
The InChIKey is XXXLSRYFWIGANK-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H23N7/c1-17-6-8-18(9-7-17)5-4-15-3-2-10(12)16-11(13)14/h2-3,15H,4-9H2,1H3,(H5,12,13,14,16)/b3-2-.
What are the key properties of (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide?
(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide has a molecular weight of 253.35 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide is sourced from PubChem (CID 145185672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).