(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine

C14H23N5 — CID 71530093

IUPAC(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(/N=C(\N)Nc1ccccc1)NC(C)C
InChIInChI=1S/C14H23N5/c1-10(2)16-14(17-11(3)4)19-13(15)18-12-8-6-5-7-9-12/h5-11H,1-4H3,(H4,15,16,17,18,19)
InChIKeyFWZURWPDUGWRCL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds3

About (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine

(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine (PubChem CID 71530093) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine
PubChem CID71530093
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(/N=C(\N)Nc1ccccc1)NC(C)C
InChIInChI=1S/C14H23N5/c1-10(2)16-14(17-11(3)4)19-13(15)18-12-8-6-5-7-9-12/h5-11H,1-4H3,(H4,15,16,17,18,19)
InChIKeyFWZURWPDUGWRCL-UHFFFAOYSA-N
XLogP2.18
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.18
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

1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187
2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
CID 107811857
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490
2-[1-(2,4-dichlorophenyl)ethyl]-1-phenylguanidine
CID 62363836
2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenoxy]phenoxy]phenyl]guanidine
CID 56649500
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine?
The IUPAC name of (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine (CID 71530093) is (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine is CC(C)/N=C(/N=C(\N)Nc1ccccc1)NC(C)C.
What is the InChIKey of (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine?
The InChIKey is FWZURWPDUGWRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)16-14(17-11(3)4)19-13(15)18-12-8-6-5-7-9-12/h5-11H,1-4H3,(H4,15,16,17,18,19).
What are the key properties of (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine?
(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 71530093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).