2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine

C16H19N5 — CID 139764297

IUPAC2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine
SMILESCC(C)c1ccc(/C(=N/N=C(N)N)c2ccccn2)cc1
InChIInChI=1S/C16H19N5/c1-11(2)12-6-8-13(9-7-12)15(20-21-16(17)18)14-5-3-4-10-19-14/h3-11H,1-2H3,(H4,17,18,21)/b20-15-
InChIKeyZQLCWRNNEDNDTA-HKWRFOASSA-N
MW281.36 g/mol
LogP2.23
Rot. Bonds4

About 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine

2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine (PubChem CID 139764297) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine
PubChem CID139764297
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine
SMILESCC(C)c1ccc(/C(=N/N=C(N)N)c2ccccn2)cc1
InChIInChI=1S/C16H19N5/c1-11(2)12-6-8-13(9-7-12)15(20-21-16(17)18)14-5-3-4-10-19-14/h3-11H,1-2H3,(H4,17,18,21)/b20-15-
InChIKeyZQLCWRNNEDNDTA-HKWRFOASSA-N
XLogP2.23
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
2-[(Z)-[(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethylidene]amino]guanidine;hydrochloride
CID 139764275
N-(2-ethyl-6-propan-2-ylphenyl)-1-phenyl-1-pyridin-2-ylmethanimine
CID 142056339
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 101245464
(N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate
CID 102083866
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride
CID 139764291
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
N'-(4-propan-2-ylphenyl)pyridine-2-carbohydrazide
CID 171665742
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine (CID 139764297) is 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine is CC(C)c1ccc(/C(=N/N=C(N)N)c2ccccn2)cc1.
What is the InChIKey of 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine?
The InChIKey is ZQLCWRNNEDNDTA-HKWRFOASSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(2)12-6-8-13(9-7-12)15(20-21-16(17)18)14-5-3-4-10-19-14/h3-11H,1-2H3,(H4,17,18,21)/b20-15-.
What are the key properties of 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine?
2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine has a molecular weight of 281.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-propan-2-ylphenyl)-pyridin-2-ylmethylidene]amino]guanidine is sourced from PubChem (CID 139764297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).