N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide

C15H18N4 — CID 170201197

IUPACN-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide
SMILESC=N/C(=N\C(=N\C)C1=NC=CCC1)C1=CCCC=C1
InChIInChI=1S/C15H18N4/c1-16-14(12-8-4-3-5-9-12)19-15(17-2)13-10-6-7-11-18-13/h4,7-9,11H,1,3,5-6,10H2,2H3/b17-15+,19-14-
InChIKeyKBCMHORRZDSOKF-NXILBLEWSA-N
MW254.34 g/mol
LogP3.14
Rot. Bonds2

About N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide

N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide (PubChem CID 170201197) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide
PubChem CID170201197
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide
SMILESC=N/C(=N\C(=N\C)C1=NC=CCC1)C1=CCCC=C1
InChIInChI=1S/C15H18N4/c1-16-14(12-8-4-3-5-9-12)19-15(17-2)13-10-6-7-11-18-13/h4,7-9,11H,1,3,5-6,10H2,2H3/b17-15+,19-14-
InChIKeyKBCMHORRZDSOKF-NXILBLEWSA-N
XLogP3.14
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide?
The IUPAC name of N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide (CID 170201197) is N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide.
What is the SMILES notation for N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide?
The canonical SMILES for N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide is C=N/C(=N\C(=N\C)C1=NC=CCC1)C1=CCCC=C1.
What is the InChIKey of N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide?
The InChIKey is KBCMHORRZDSOKF-NXILBLEWSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-14(12-8-4-3-5-9-12)19-15(17-2)13-10-6-7-11-18-13/h4,7-9,11H,1,3,5-6,10H2,2H3/b17-15+,19-14-.
What are the key properties of N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide?
N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide has a molecular weight of 254.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-N'-methyl-3,4-dihydropyridine-2-carboximidamide is sourced from PubChem (CID 170201197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).