N,N-diethyl-N'-hexadecylethanimidamide

C22H46N2 — CID 134163471

IUPACN,N-diethyl-N'-hexadecylethanimidamide
SMILESCCCCCCCCCCCCCCCC/N=C(\C)N(CC)CC
InChIInChI=1S/C22H46N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(4)24(6-2)7-3/h5-21H2,1-4H3/b23-22+
InChIKeyCEZSWRJOIPPGCB-GHVJWSGMSA-N
MW338.62 g/mol
LogP7.23
Rot. Bonds17

About N,N-diethyl-N'-hexadecylethanimidamide

N,N-diethyl-N'-hexadecylethanimidamide (PubChem CID 134163471) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is N,N-diethyl-N'-hexadecylethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-hexadecylethanimidamide
PubChem CID134163471
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC NameN,N-diethyl-N'-hexadecylethanimidamide
SMILESCCCCCCCCCCCCCCCC/N=C(\C)N(CC)CC
InChIInChI=1S/C22H46N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(4)24(6-2)7-3/h5-21H2,1-4H3/b23-22+
InChIKeyCEZSWRJOIPPGCB-GHVJWSGMSA-N
XLogP7.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 57.23
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'-hexadecylethanimidamide?
The IUPAC name of N,N-diethyl-N'-hexadecylethanimidamide (CID 134163471) is N,N-diethyl-N'-hexadecylethanimidamide.
What is the SMILES notation for N,N-diethyl-N'-hexadecylethanimidamide?
The canonical SMILES for N,N-diethyl-N'-hexadecylethanimidamide is CCCCCCCCCCCCCCCC/N=C(\C)N(CC)CC.
What is the InChIKey of N,N-diethyl-N'-hexadecylethanimidamide?
The InChIKey is CEZSWRJOIPPGCB-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H46N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(4)24(6-2)7-3/h5-21H2,1-4H3/b23-22+.
What are the key properties of N,N-diethyl-N'-hexadecylethanimidamide?
N,N-diethyl-N'-hexadecylethanimidamide has a molecular weight of 338.62 g/mol, XLogP of 7.23, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-hexadecylethanimidamide is sourced from PubChem (CID 134163471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).