N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide

C15H26N2 — CID 166886864

IUPACN-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide
SMILESCCCC/C(=N\C)N(CC)C1=CC=C(CC)C1
InChIInChI=1S/C15H26N2/c1-5-8-9-15(16-4)17(7-3)14-11-10-13(6-2)12-14/h10-11H,5-9,12H2,1-4H3/b16-15+
InChIKeyZBRQCSZHSDRJIT-FOCLMDBBSA-N
MW234.39 g/mol
LogP4.15
Rot. Bonds6

About N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide

N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide (PubChem CID 166886864) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide
PubChem CID166886864
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide
SMILESCCCC/C(=N\C)N(CC)C1=CC=C(CC)C1
InChIInChI=1S/C15H26N2/c1-5-8-9-15(16-4)17(7-3)14-11-10-13(6-2)12-14/h10-11H,5-9,12H2,1-4H3/b16-15+
InChIKeyZBRQCSZHSDRJIT-FOCLMDBBSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.15
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide?
The IUPAC name of N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide (CID 166886864) is N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide.
What is the SMILES notation for N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide?
The canonical SMILES for N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide is CCCC/C(=N\C)N(CC)C1=CC=C(CC)C1.
What is the InChIKey of N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide?
The InChIKey is ZBRQCSZHSDRJIT-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-8-9-15(16-4)17(7-3)14-11-10-13(6-2)12-14/h10-11H,5-9,12H2,1-4H3/b16-15+.
What are the key properties of N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide?
N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide has a molecular weight of 234.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-ethylcyclopenta-1,3-dien-1-yl)-N'-methylpentanimidamide is sourced from PubChem (CID 166886864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).