1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine

C14H23N3 — CID 88944971

IUPAC1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(C)=C\N=C(/C)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H23N3/c1-4-12(2)11-15-13(3)16-7-9-17(10-8-16)14-5-6-14/h4,11,14H,1,5-10H2,2-3H3/b12-11-,15-13+
InChIKeyDWXVVQHZYUMEJC-XGRKLIJNSA-N
MW233.36 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine

1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine (PubChem CID 88944971) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
PubChem CID88944971
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(C)=C\N=C(/C)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H23N3/c1-4-12(2)11-15-13(3)16-7-9-17(10-8-16)14-5-6-14/h4,11,14H,1,5-10H2,2-3H3/b12-11-,15-13+
InChIKeyDWXVVQHZYUMEJC-XGRKLIJNSA-N
XLogP2.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine (CID 88944971) is 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine is C=C/C(C)=C\N=C(/C)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine?
The InChIKey is DWXVVQHZYUMEJC-XGRKLIJNSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12(2)11-15-13(3)16-7-9-17(10-8-16)14-5-6-14/h4,11,14H,1,5-10H2,2-3H3/b12-11-,15-13+.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine?
1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine has a molecular weight of 233.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 88944971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).