(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne

C15H27N3 — CID 145198326

IUPAC(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne
SMILESC#CC.CC/C=C(\C=N\C)CN1CCN(C)CC1
InChIInChI=1S/C12H23N3.C3H4/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15;1-3-2/h5,10H,4,6-9,11H2,1-3H3;1H,2H3/b12-5+,13-10+;
InChIKeyHIZODPDUONEJIV-WMDDSLPESA-N
MW249.40 g/mol
LogP1.91
Rot. Bonds4

About (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne

(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne (PubChem CID 145198326) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne.

Molecular Properties

Compound Name(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne
PubChem CID145198326
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne
SMILESC#CC.CC/C=C(\C=N\C)CN1CCN(C)CC1
InChIInChI=1S/C12H23N3.C3H4/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15;1-3-2/h5,10H,4,6-9,11H2,1-3H3;1H,2H3/b12-5+,13-10+;
InChIKeyHIZODPDUONEJIV-WMDDSLPESA-N
XLogP1.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
(Z)-N-methyl-2-(piperazin-1-ylmethyl)pent-2-en-1-imine
CID 144105550
7-Ethyl-3-[(4-methylpiperazin-1-yl)methyl]-2,5-dihydroazocine
CID 163535125
(Z)-N-ethyl-N-methyl-2-(methyliminomethyl)hex-2-en-5-yn-1-amine
CID 144590273
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine
CID 145198327

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne?
The IUPAC name of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne (CID 145198326) is (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne.
What is the SMILES notation for (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne?
The canonical SMILES for (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne is C#CC.CC/C=C(\C=N\C)CN1CCN(C)CC1.
What is the InChIKey of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne?
The InChIKey is HIZODPDUONEJIV-WMDDSLPESA-N. The full InChI is InChI=1S/C12H23N3.C3H4/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15;1-3-2/h5,10H,4,6-9,11H2,1-3H3;1H,2H3/b12-5+,13-10+;.
What are the key properties of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne?
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne has a molecular weight of 249.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne is sourced from PubChem (CID 145198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).