N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine

C15H29N3 — CID 134406029

IUPACN'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine
SMILESC/C=C(C)\N=C\C/C(=C\C)N(CC)CCNCC
InChIInChI=1S/C15H29N3/c1-6-14(5)17-11-10-15(7-2)18(9-4)13-12-16-8-3/h6-7,11,16H,8-10,12-13H2,1-5H3/b14-6-,15-7+,17-11+
InChIKeyMNWUTFARCZNMGT-ZEOXEXPUSA-N
MW251.42 g/mol
LogP3.21
Rot. Bonds9

About N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine

N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine (PubChem CID 134406029) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine
PubChem CID134406029
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine
SMILESC/C=C(C)\N=C\C/C(=C\C)N(CC)CCNCC
InChIInChI=1S/C15H29N3/c1-6-14(5)17-11-10-15(7-2)18(9-4)13-12-16-8-3/h6-7,11,16H,8-10,12-13H2,1-5H3/b14-6-,15-7+,17-11+
InChIKeyMNWUTFARCZNMGT-ZEOXEXPUSA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine (CID 134406029) is N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine is C/C=C(C)\N=C\C/C(=C\C)N(CC)CCNCC.
What is the InChIKey of N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine?
The InChIKey is MNWUTFARCZNMGT-ZEOXEXPUSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-14(5)17-11-10-15(7-2)18(9-4)13-12-16-8-3/h6-7,11,16H,8-10,12-13H2,1-5H3/b14-6-,15-7+,17-11+.
What are the key properties of N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine?
N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine has a molecular weight of 251.42 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 134406029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).