N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine

C24H50N2 — CID 88516506

IUPACN,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCN(CC)CCNCC
InChIInChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(6-3)24-22-25-5-2/h13-14,25H,4-12,15-24H2,1-3H3/b14-13-
InChIKeyIPNZNLYKVIVNSK-YPKPFQOOSA-N
MW366.68 g/mol
LogP6.96
Rot. Bonds21

About N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine

N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine (PubChem CID 88516506) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine
PubChem CID88516506
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC NameN,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCN(CC)CCNCC
InChIInChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(6-3)24-22-25-5-2/h13-14,25H,4-12,15-24H2,1-3H3/b14-13-
InChIKeyIPNZNLYKVIVNSK-YPKPFQOOSA-N
XLogP6.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine (CID 88516506) is N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine is CCCCCCCC/C=C\CCCCCCCCN(CC)CCNCC.
What is the InChIKey of N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine?
The InChIKey is IPNZNLYKVIVNSK-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(6-3)24-22-25-5-2/h13-14,25H,4-12,15-24H2,1-3H3/b14-13-.
What are the key properties of N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine?
N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine has a molecular weight of 366.68 g/mol, XLogP of 6.96, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine is sourced from PubChem (CID 88516506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).