ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine

C20H41N3 — CID 143378329

IUPACethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
SMILESCC.CCCCCCN1CCN(C(C)/C=C(/C)N=C(C)C)CC1
InChIInChI=1S/C18H35N3.C2H6/c1-6-7-8-9-10-20-11-13-21(14-12-20)18(5)15-17(4)19-16(2)3;1-2/h15,18H,6-14H2,1-5H3;1-2H3/b17-15-;
InChIKeyQMMCUIVKGOIDQT-NYDCQJDFSA-N
MW323.57 g/mol
LogP4.98
Rot. Bonds8

About ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine

ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine (PubChem CID 143378329) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
PubChem CID143378329
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Nameethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
SMILESCC.CCCCCCN1CCN(C(C)/C=C(/C)N=C(C)C)CC1
InChIInChI=1S/C18H35N3.C2H6/c1-6-7-8-9-10-20-11-13-21(14-12-20)18(5)15-17(4)19-16(2)3;1-2/h15,18H,6-14H2,1-5H3;1-2H3/b17-15-;
InChIKeyQMMCUIVKGOIDQT-NYDCQJDFSA-N
XLogP4.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378415
N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine;ethane;methane
CID 143378417
Ethane;6-(1-methylpiperidin-2-yl)-3,4-dihydropyridine
CID 144108443
N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane
CID 145197853
ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
CID 145198032
8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine
CID 170246685
ethane;N-[(2S)-pentan-2-yl]-N-[(3Z)-4-(propan-2-ylideneamino)hexa-1,3-dien-2-yl]cyclohexanamine
CID 177055260
ethane;N-(2-methylprop-2-enyl)-N-[(Z)-3-(propan-2-ylideneamino)pent-2-enyl]cyclohexanamine
CID 177055367
3-(3-butyl-4-heptan-4-ylpiperazin-1-yl)-N-[(Z)-4-methylidenehex-2-en-3-yl]but-3-en-2-imine
CID 143280735
N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378330
N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378416
N-[(Z)-4-(4-cyclohexylpiperazin-1-yl)but-2-en-2-yl]propan-2-imine
CID 143378418

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
The IUPAC name of ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine (CID 143378329) is ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine.
What is the SMILES notation for ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
The canonical SMILES for ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine is CC.CCCCCCN1CCN(C(C)/C=C(/C)N=C(C)C)CC1.
What is the InChIKey of ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
The InChIKey is QMMCUIVKGOIDQT-NYDCQJDFSA-N. The full InChI is InChI=1S/C18H35N3.C2H6/c1-6-7-8-9-10-20-11-13-21(14-12-20)18(5)15-17(4)19-16(2)3;1-2/h15,18H,6-14H2,1-5H3;1-2H3/b17-15-;.
What are the key properties of ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine has a molecular weight of 323.57 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 143378329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).