1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine

C12H19N5 — CID 24835754

IUPAC1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine
SMILESCCC(Cc1ccccc1)/N=C(\N)N=C(N)N
InChIInChI=1S/C12H19N5/c1-2-10(16-12(15)17-11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H6,13,14,15,16,17)
InChIKeyLILAYUQAVRMSFD-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.60
Rot. Bonds4

About 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine

1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine (PubChem CID 24835754) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine
PubChem CID24835754
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine
SMILESCCC(Cc1ccccc1)/N=C(\N)N=C(N)N
InChIInChI=1S/C12H19N5/c1-2-10(16-12(15)17-11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H6,13,14,15,16,17)
InChIKeyLILAYUQAVRMSFD-UHFFFAOYSA-N
XLogP0.60
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.60
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-(diaminomethylidene)-2-(1-phenylpropyl)guanidine
CID 15411052
1-(diaminomethylidene)-2-heptan-3-ylguanidine
CID 18769921
1-(diaminomethylidene)-2-octan-3-ylguanidine
CID 87523734
1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
CID 101228491
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
tert-butyl(1-phenylbutan-2-yl)diazene
CID 54519373
2-[1-(benzylamino)propyl]guanidine
CID 23619124
2-(4-phenylbutan-2-yl)guanidine
CID 14088265
3-amino-1-phenylpentan-2-ol
CID 57155399
1-cyano-2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]guanidine;ethene
CID 142011673
2-benzyl-3-butan-2-yl-4-methyl-3-(2-phenylethyl)hexanoic acid
CID 141045507

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine (CID 24835754) is 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine is CCC(Cc1ccccc1)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine?
The InChIKey is LILAYUQAVRMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-10(16-12(15)17-11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H6,13,14,15,16,17).
What are the key properties of 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine?
1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine has a molecular weight of 233.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 24835754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).