N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide

C10H18N2 — CID 123888014

IUPACN-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide
SMILESC=C(C=CC)N(CC)/C(C)=N/C
InChIInChI=1S/C10H18N2/c1-6-8-9(3)12(7-2)10(4)11-5/h6,8H,3,7H2,1-2,4-5H3/b8-6?,11-10+
InChIKeyZVKHEVGJWBCWJU-HIUKFEACSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds3

About N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide

N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide (PubChem CID 123888014) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide
PubChem CID123888014
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide
SMILESC=C(C=CC)N(CC)/C(C)=N/C
InChIInChI=1S/C10H18N2/c1-6-8-9(3)12(7-2)10(4)11-5/h6,8H,3,7H2,1-2,4-5H3/b8-6?,11-10+
InChIKeyZVKHEVGJWBCWJU-HIUKFEACSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
Diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
CID 23558529
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
1,2,3,6-tetramethyl-4H-pyrimidin-3-ium
CID 66739432
1-tert-butyl-2,6-dimethyl-4H-pyrimidine
CID 67682840
3-tert-butyl-2,6-dimethyl-4H-pyrimidine
CID 67682841
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225
1,4-Dimethyl-6-methylidene-2-propylpyrimidine
CID 89659145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide (CID 123888014) is N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide is C=C(C=CC)N(CC)/C(C)=N/C.
What is the InChIKey of N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide?
The InChIKey is ZVKHEVGJWBCWJU-HIUKFEACSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8-9(3)12(7-2)10(4)11-5/h6,8H,3,7H2,1-2,4-5H3/b8-6?,11-10+.
What are the key properties of N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide?
N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide is sourced from PubChem (CID 123888014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).