(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine

C18H32N4O — CID 143378565

IUPAC(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine
SMILESC=C(C)/C(=C\C(C)=N\C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C18H32N4O/c1-16(2)18(15-17(3)19-4)22-9-7-20(8-10-22)5-6-21-11-13-23-14-12-21/h15H,1,5-14H2,2-4H3/b18-15+,19-17+
InChIKeyMURLPHUPXANIMF-RZBFYTONSA-N
MW320.48 g/mol
LogP1.49
Rot. Bonds6

About (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine

(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine (PubChem CID 143378565) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine
PubChem CID143378565
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine
SMILESC=C(C)/C(=C\C(C)=N\C)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C18H32N4O/c1-16(2)18(15-17(3)19-4)22-9-7-20(8-10-22)5-6-21-11-13-23-14-12-21/h15H,1,5-14H2,2-4H3/b18-15+,19-17+
InChIKeyMURLPHUPXANIMF-RZBFYTONSA-N
XLogP1.49
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine?
The IUPAC name of (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine (CID 143378565) is (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine is C=C(C)/C(=C\C(C)=N\C)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine?
The InChIKey is MURLPHUPXANIMF-RZBFYTONSA-N. The full InChI is InChI=1S/C18H32N4O/c1-16(2)18(15-17(3)19-4)22-9-7-20(8-10-22)5-6-21-11-13-23-14-12-21/h15H,1,5-14H2,2-4H3/b18-15+,19-17+.
What are the key properties of (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine?
(3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine has a molecular weight of 320.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,5-dimethyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hexa-3,5-dien-2-imine is sourced from PubChem (CID 143378565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).