N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

C9H11N5 — CID 5338079

IUPACN-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC(=N/NC1=NCCN1)\c1cccnc1
InChIInChI=1S/C9H11N5/c1-2-8(6-10-3-1)7-13-14-9-11-4-5-12-9/h1-3,6-7H,4-5H2,(H2,11,12,14)/b13-7+
InChIKeyGIXNKADALJOYJW-NTUHNPAUSA-N
MW189.22 g/mol
LogP-0.04
Rot. Bonds2

About N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 5338079) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID5338079
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC(=N/NC1=NCCN1)\c1cccnc1
InChIInChI=1S/C9H11N5/c1-2-8(6-10-3-1)7-13-14-9-11-4-5-12-9/h1-3,6-7H,4-5H2,(H2,11,12,14)/b13-7+
InChIKeyGIXNKADALJOYJW-NTUHNPAUSA-N
XLogP-0.04
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-1-ium-4-ylmethylideneamino)-4,5-dihydro-1H-imidazol-2-amine
CID 135761167
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 146217301
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217277
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217300
N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 172918425
N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
CID 98561244
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
N-[(E)-pyridin-3-ylmethylideneamino]pyridazin-3-amine
CID 167776981
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
CID 177469296
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
CID 3482722

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 5338079) is N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is C(=N/NC1=NCCN1)\c1cccnc1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is GIXNKADALJOYJW-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-8(6-10-3-1)7-13-14-9-11-4-5-12-9/h1-3,6-7H,4-5H2,(H2,11,12,14)/b13-7+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 189.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 5338079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).