N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine

C17H34N2O — CID 134322296

IUPACN,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine
SMILESCCC/C=C\C=C/COCCCN(CC)CCNCC
InChIInChI=1S/C17H34N2O/c1-4-7-8-9-10-11-16-20-17-12-14-19(6-3)15-13-18-5-2/h8-11,18H,4-7,12-17H2,1-3H3/b9-8-,11-10-
InChIKeyONZNTMIYHAIZHK-XESWYYRISA-N
MW282.47 g/mol
LogP3.24
Rot. Bonds14

About N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine

N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine (PubChem CID 134322296) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine
PubChem CID134322296
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine
SMILESCCC/C=C\C=C/COCCCN(CC)CCNCC
InChIInChI=1S/C17H34N2O/c1-4-7-8-9-10-11-16-20-17-12-14-19(6-3)15-13-18-5-2/h8-11,18H,4-7,12-17H2,1-3H3/b9-8-,11-10-
InChIKeyONZNTMIYHAIZHK-XESWYYRISA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine (CID 134322296) is N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine is CCC/C=C\C=C/COCCCN(CC)CCNCC.
What is the InChIKey of N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine?
The InChIKey is ONZNTMIYHAIZHK-XESWYYRISA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-7-8-9-10-11-16-20-17-12-14-19(6-3)15-13-18-5-2/h8-11,18H,4-7,12-17H2,1-3H3/b9-8-,11-10-.
What are the key properties of N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine?
N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.24, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[3-[(2Z,4Z)-octa-2,4-dienoxy]propyl]ethane-1,2-diamine is sourced from PubChem (CID 134322296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).