N,N-diethyl-N'-octadecylethanimidamide

C24H50N2 — CID 134163448

IUPACN,N-diethyl-N'-octadecylethanimidamide
SMILESCCCCCCCCCCCCCCCCCC/N=C(\C)N(CC)CC
InChIInChI=1S/C24H50N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(4)26(6-2)7-3/h5-23H2,1-4H3/b25-24+
InChIKeyGXODIUXRPVZQEY-OCOZRVBESA-N
MW366.68 g/mol
LogP8.01
Rot. Bonds19

About N,N-diethyl-N'-octadecylethanimidamide

N,N-diethyl-N'-octadecylethanimidamide (PubChem CID 134163448) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is N,N-diethyl-N'-octadecylethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-octadecylethanimidamide
PubChem CID134163448
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC NameN,N-diethyl-N'-octadecylethanimidamide
SMILESCCCCCCCCCCCCCCCCCC/N=C(\C)N(CC)CC
InChIInChI=1S/C24H50N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(4)26(6-2)7-3/h5-23H2,1-4H3/b25-24+
InChIKeyGXODIUXRPVZQEY-OCOZRVBESA-N
XLogP8.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-octadecylethanimidamide?
The IUPAC name of N,N-diethyl-N'-octadecylethanimidamide (CID 134163448) is N,N-diethyl-N'-octadecylethanimidamide.
What is the SMILES notation for N,N-diethyl-N'-octadecylethanimidamide?
The canonical SMILES for N,N-diethyl-N'-octadecylethanimidamide is CCCCCCCCCCCCCCCCCC/N=C(\C)N(CC)CC.
What is the InChIKey of N,N-diethyl-N'-octadecylethanimidamide?
The InChIKey is GXODIUXRPVZQEY-OCOZRVBESA-N. The full InChI is InChI=1S/C24H50N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(4)26(6-2)7-3/h5-23H2,1-4H3/b25-24+.
What are the key properties of N,N-diethyl-N'-octadecylethanimidamide?
N,N-diethyl-N'-octadecylethanimidamide has a molecular weight of 366.68 g/mol, XLogP of 8.01, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-octadecylethanimidamide is sourced from PubChem (CID 134163448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).