N'-methyl-N,N-dioctylethanimidamide

C19H40N2 — CID 139776671

IUPACN'-methyl-N,N-dioctylethanimidamide
SMILESCCCCCCCCN(CCCCCCCC)/C(C)=N/C
InChIInChI=1S/C19H40N2/c1-5-7-9-11-13-15-17-21(19(3)20-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/b20-19+
InChIKeyDGZCAYYZLLANAK-FMQUCBEESA-N
MW296.54 g/mol
LogP6.06
Rot. Bonds14

About N'-methyl-N,N-dioctylethanimidamide

N'-methyl-N,N-dioctylethanimidamide (PubChem CID 139776671) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N'-methyl-N,N-dioctylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N,N-dioctylethanimidamide
PubChem CID139776671
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN'-methyl-N,N-dioctylethanimidamide
SMILESCCCCCCCCN(CCCCCCCC)/C(C)=N/C
InChIInChI=1S/C19H40N2/c1-5-7-9-11-13-15-17-21(19(3)20-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/b20-19+
InChIKeyDGZCAYYZLLANAK-FMQUCBEESA-N
XLogP6.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.06
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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Related Compounds

N,N-dibutyl-N'-methylethanimidamide
CID 13042442
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N,N,N',N'-tetrahexyloxamide
CID 6424911
hexyl(octadecyl)carbamic acid
CID 87702094
CID 22164562
CID 22164562
1,1,3-trihexylthiourea
CID 19875506
1-(dihexylamino)ethylidene-dihexylazanium
CID 23311458
molybdenum;octadecyl(octyl)carbamothioic O-acid
CID 175434115
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N-dioctylethanimidamide?
The IUPAC name of N'-methyl-N,N-dioctylethanimidamide (CID 139776671) is N'-methyl-N,N-dioctylethanimidamide.
What is the SMILES notation for N'-methyl-N,N-dioctylethanimidamide?
The canonical SMILES for N'-methyl-N,N-dioctylethanimidamide is CCCCCCCCN(CCCCCCCC)/C(C)=N/C.
What is the InChIKey of N'-methyl-N,N-dioctylethanimidamide?
The InChIKey is DGZCAYYZLLANAK-FMQUCBEESA-N. The full InChI is InChI=1S/C19H40N2/c1-5-7-9-11-13-15-17-21(19(3)20-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3/b20-19+.
What are the key properties of N'-methyl-N,N-dioctylethanimidamide?
N'-methyl-N,N-dioctylethanimidamide has a molecular weight of 296.54 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N-dioctylethanimidamide is sourced from PubChem (CID 139776671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).