(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine

C13H25N3 — CID 131995956

IUPAC(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine
SMILES[H]/N=C(C(/C)=C\C(C)(C)C)\N1CCN(C)CC1
InChIInChI=1S/C13H25N3/c1-11(10-13(2,3)4)12(14)16-8-6-15(5)7-9-16/h10,14H,6-9H2,1-5H3/b11-10-,14-12-
InChIKeyKFZIKKQRVJLDNO-QDUUWUCGSA-N
MW223.36 g/mol
LogP2.20
Rot. Bonds1

About (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine

(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine (PubChem CID 131995956) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine
PubChem CID131995956
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine
SMILES[H]/N=C(C(/C)=C\C(C)(C)C)\N1CCN(C)CC1
InChIInChI=1S/C13H25N3/c1-11(10-13(2,3)4)12(14)16-8-6-15(5)7-9-16/h10,14H,6-9H2,1-5H3/b11-10-,14-12-
InChIKeyKFZIKKQRVJLDNO-QDUUWUCGSA-N
XLogP2.20
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
The IUPAC name of (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine (CID 131995956) is (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine.
What is the SMILES notation for (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
The canonical SMILES for (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine is [H]/N=C(C(/C)=C\C(C)(C)C)\N1CCN(C)CC1.
What is the InChIKey of (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
The InChIKey is KFZIKKQRVJLDNO-QDUUWUCGSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(10-13(2,3)4)12(14)16-8-6-15(5)7-9-16/h10,14H,6-9H2,1-5H3/b11-10-,14-12-.
What are the key properties of (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine?
(Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine has a molecular weight of 223.36 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4-trimethyl-1-(4-methylpiperazin-1-yl)pent-2-en-1-imine is sourced from PubChem (CID 131995956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).