1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine

C14H18FN5 — CID 157399427

IUPAC1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine
SMILESCC1=C(CC/N=C(\N)N=C(N)N)c2ccc(F)cc2C1
InChIInChI=1S/C14H18FN5/c1-8-6-9-7-10(15)2-3-12(9)11(8)4-5-19-14(18)20-13(16)17/h2-3,7H,4-6H2,1H3,(H6,16,17,18,19,20)
InChIKeyBMYSWKVJKLOLLG-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.13
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine

1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine (PubChem CID 157399427) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine
PubChem CID157399427
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine
SMILESCC1=C(CC/N=C(\N)N=C(N)N)c2ccc(F)cc2C1
InChIInChI=1S/C14H18FN5/c1-8-6-9-7-10(15)2-3-12(9)11(8)4-5-19-14(18)20-13(16)17/h2-3,7H,4-6H2,1H3,(H6,16,17,18,19,20)
InChIKeyBMYSWKVJKLOLLG-UHFFFAOYSA-N
XLogP1.13
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.13
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-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid
CID 149279625
2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
CID 12051709
N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58407486
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 114165563
2-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 118466379
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539
1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine
CID 138455916
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-[2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)ethyl]guanidine
CID 146250137
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
1-(diaminomethylidene)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)guanidine;hydrochloride
CID 162334537
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine (CID 157399427) is 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine is CC1=C(CC/N=C(\N)N=C(N)N)c2ccc(F)cc2C1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine?
The InChIKey is BMYSWKVJKLOLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-8-6-9-7-10(15)2-3-12(9)11(8)4-5-19-14(18)20-13(16)17/h2-3,7H,4-6H2,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine has a molecular weight of 275.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine is sourced from PubChem (CID 157399427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).