ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine

C14H29N3 — CID 142358605

IUPACethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
SMILESCC.CC(C)=N/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C12H23N3.C2H6/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15;1-2/h9H,5-8,10H2,1-4H3;1-2H3/b12-9+;
InChIKeyPYRASTUGNZBAPB-NBYYMMLRSA-N
MW239.41 g/mol
LogP2.64
Rot. Bonds3

About ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine

ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine (PubChem CID 142358605) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
PubChem CID142358605
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nameethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
SMILESCC.CC(C)=N/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C12H23N3.C2H6/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15;1-2/h9H,5-8,10H2,1-4H3;1-2H3/b12-9+;
InChIKeyPYRASTUGNZBAPB-NBYYMMLRSA-N
XLogP2.64
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
The IUPAC name of ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine (CID 142358605) is ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine.
What is the SMILES notation for ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
The canonical SMILES for ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine is CC.CC(C)=N/C=C(\C)CN1CCN(C)CC1.
What is the InChIKey of ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
The InChIKey is PYRASTUGNZBAPB-NBYYMMLRSA-N. The full InChI is InChI=1S/C12H23N3.C2H6/c1-11(2)13-9-12(3)10-15-7-5-14(4)6-8-15;1-2/h9H,5-8,10H2,1-4H3;1-2H3/b12-9+;.
What are the key properties of ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine has a molecular weight of 239.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine is sourced from PubChem (CID 142358605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).