(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine

C15H25N3 — CID 145292813

IUPAC(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
SMILESC=C(C(=C/CC1CC1)/C=N/C)N1CCN(C)CC1
InChIInChI=1S/C15H25N3/c1-13(18-10-8-17(3)9-11-18)15(12-16-2)7-6-14-4-5-14/h7,12,14H,1,4-6,8-11H2,2-3H3/b15-7+,16-12+
InChIKeyUWKKUEPGESAXPY-QGHKEMITSA-N
MW247.39 g/mol
LogP2.17
Rot. Bonds5

About (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine

(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine (PubChem CID 145292813) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
PubChem CID145292813
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
SMILESC=C(C(=C/CC1CC1)/C=N/C)N1CCN(C)CC1
InChIInChI=1S/C15H25N3/c1-13(18-10-8-17(3)9-11-18)15(12-16-2)7-6-14-4-5-14/h7,12,14H,1,4-6,8-11H2,2-3H3/b15-7+,16-12+
InChIKeyUWKKUEPGESAXPY-QGHKEMITSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-6-(4-pentan-2-ylpiperazin-1-yl)-3,4-dihydroazocine
CID 91515650
5-Methyl-7-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 123161122
3-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-3H-azepine
CID 126706503
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine
CID 153397882
4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-4H-azepine
CID 172586863

Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
The IUPAC name of (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine (CID 145292813) is (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine is C=C(C(=C/CC1CC1)/C=N/C)N1CCN(C)CC1.
What is the InChIKey of (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
The InChIKey is UWKKUEPGESAXPY-QGHKEMITSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(18-10-8-17(3)9-11-18)15(12-16-2)7-6-14-4-5-14/h7,12,14H,1,4-6,8-11H2,2-3H3/b15-7+,16-12+.
What are the key properties of (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine?
(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine has a molecular weight of 247.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine is sourced from PubChem (CID 145292813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).