N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine

C17H31N3 — CID 143378418

IUPACN-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine
SMILESCC(C)=N/C(C)=C\CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H31N3/c1-15(2)18-16(3)9-10-19-11-13-20(14-12-19)17-7-5-4-6-8-17/h9,17H,4-8,10-14H2,1-3H3/b16-9-
InChIKeyNDJPPKCQCVIVQW-SXGWCWSVSA-N
MW277.46 g/mol
LogP3.32
Rot. Bonds4

About N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine

N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine (PubChem CID 143378418) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine
PubChem CID143378418
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine
SMILESCC(C)=N/C(C)=C\CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H31N3/c1-15(2)18-16(3)9-10-19-11-13-20(14-12-19)17-7-5-4-6-8-17/h9,17H,4-8,10-14H2,1-3H3/b16-9-
InChIKeyNDJPPKCQCVIVQW-SXGWCWSVSA-N
XLogP3.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378329
N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine;ethane;methane
CID 143378417
N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378330

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine?
The IUPAC name of N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine (CID 143378418) is N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine.
What is the SMILES notation for N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine?
The canonical SMILES for N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine is CC(C)=N/C(C)=C\CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine?
The InChIKey is NDJPPKCQCVIVQW-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H31N3/c1-15(2)18-16(3)9-10-19-11-13-20(14-12-19)17-7-5-4-6-8-17/h9,17H,4-8,10-14H2,1-3H3/b16-9-.
What are the key properties of N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine?
N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine has a molecular weight of 277.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 143378418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).