ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine

C19H40N4 — CID 142390553

IUPACethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
SMILESC/C=C/C=C(\C=N\CCCN1CCN(C)CC1)CN.CC.CC
InChIInChI=1S/C15H28N4.2C2H6/c1-3-4-6-15(13-16)14-17-7-5-8-19-11-9-18(2)10-12-19;2*1-2/h3-4,6,14H,5,7-13,16H2,1-2H3;2*1-2H3/b4-3+,15-6-,17-14+;;
InChIKeyUGNDYLVTXAGMAL-BQIIHBBYSA-N
MW324.56 g/mol
LogP3.21
Rot. Bonds7

About ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine

ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine (PubChem CID 142390553) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
PubChem CID142390553
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Nameethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
SMILESC/C=C/C=C(\C=N\CCCN1CCN(C)CC1)CN.CC.CC
InChIInChI=1S/C15H28N4.2C2H6/c1-3-4-6-15(13-16)14-17-7-5-8-19-11-9-18(2)10-12-19;2*1-2/h3-4,6,14H,5,7-13,16H2,1-2H3;2*1-2H3/b4-3+,15-6-,17-14+;;
InChIKeyUGNDYLVTXAGMAL-BQIIHBBYSA-N
XLogP3.21
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine (CID 142390553) is ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine is C/C=C/C=C(\C=N\CCCN1CCN(C)CC1)CN.CC.CC.
What is the InChIKey of ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
The InChIKey is UGNDYLVTXAGMAL-BQIIHBBYSA-N. The full InChI is InChI=1S/C15H28N4.2C2H6/c1-3-4-6-15(13-16)14-17-7-5-8-19-11-9-18(2)10-12-19;2*1-2/h3-4,6,14H,5,7-13,16H2,1-2H3;2*1-2H3/b4-3+,15-6-,17-14+;;.
What are the key properties of ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine has a molecular weight of 324.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 142390553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).