(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine

C12H16FN5 — CID 21492995

IUPAC(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
SMILESN/C(=N/C(N)=N/CC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C12H16FN5/c13-9-3-5-10(6-4-9)17-12(15)18-11(14)16-7-8-1-2-8/h3-6,8H,1-2,7H2,(H5,14,15,16,17,18)
InChIKeySQDMETYQNIKUBD-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.28
Rot. Bonds3

About (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine

(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine (PubChem CID 21492995) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine.

Molecular Properties

Compound Name(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
PubChem CID21492995
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
SMILESN/C(=N/C(N)=N/CC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C12H16FN5/c13-9-3-5-10(6-4-9)17-12(15)18-11(14)16-7-8-1-2-8/h3-6,8H,1-2,7H2,(H5,14,15,16,17,18)
InChIKeySQDMETYQNIKUBD-UHFFFAOYSA-N
XLogP1.28
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.28
H-Bond Donors ≤ 53
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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Related Compounds

2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 70233774
(1E)-1-[amino-(4-methylanilino)methylidene]-2-ethylguanidine
CID 45097615
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
2-[(4-cyanocyclohexyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120727879
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine
CID 123628024
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine dichloride
CID 85066607
2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-[amino-(4-chloroanilino)methylidene]-2-(3-hydroxypropyl)guanidine
CID 70648810

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine?
The IUPAC name of (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine (CID 21492995) is (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine.
What is the SMILES notation for (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine?
The canonical SMILES for (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine is N/C(=N/C(N)=N/CC1CC1)Nc1ccc(F)cc1.
What is the InChIKey of (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine?
The InChIKey is SQDMETYQNIKUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c13-9-3-5-10(6-4-9)17-12(15)18-11(14)16-7-8-1-2-8/h3-6,8H,1-2,7H2,(H5,14,15,16,17,18).
What are the key properties of (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine?
(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine has a molecular weight of 249.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine is sourced from PubChem (CID 21492995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).