N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide

C16H27N3O — CID 25159030

IUPACN-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide
SMILESCCN(C)/C=N/c1ccc(OCCCC(C)C)nc1C
InChIInChI=1S/C16H27N3O/c1-6-19(5)12-17-15-9-10-16(18-14(15)4)20-11-7-8-13(2)3/h9-10,12-13H,6-8,11H2,1-5H3/b17-12+
InChIKeyOEAFJRUYFSQYAE-SFQUDFHCSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds8

About N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide

N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide (PubChem CID 25159030) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide
PubChem CID25159030
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide
SMILESCCN(C)/C=N/c1ccc(OCCCC(C)C)nc1C
InChIInChI=1S/C16H27N3O/c1-6-19(5)12-17-15-9-10-16(18-14(15)4)20-11-7-8-13(2)3/h9-10,12-13H,6-8,11H2,1-5H3/b17-12+
InChIKeyOEAFJRUYFSQYAE-SFQUDFHCSA-N
XLogP3.82
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide (CID 25159030) is N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide is CCN(C)/C=N/c1ccc(OCCCC(C)C)nc1C.
What is the InChIKey of N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide?
The InChIKey is OEAFJRUYFSQYAE-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-19(5)12-17-15-9-10-16(18-14(15)4)20-11-7-8-13(2)3/h9-10,12-13H,6-8,11H2,1-5H3/b17-12+.
What are the key properties of N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide?
N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide has a molecular weight of 277.41 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-[2-methyl-6-(4-methylpentoxy)-3-pyridinyl]methanimidamide is sourced from PubChem (CID 25159030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).