1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine

C16H18N4 — CID 116511868

IUPAC1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
SMILESCC/N=C(\NN)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H18N4/c1-2-18-16(20-17)19-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9,17H2,1H3,(H2,18,19,20)
InChIKeyCNMOIFDETHCPJQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.51
Rot. Bonds2

About 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine

1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine (PubChem CID 116511868) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
PubChem CID116511868
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
SMILESCC/N=C(\NN)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H18N4/c1-2-18-16(20-17)19-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9,17H2,1H3,(H2,18,19,20)
InChIKeyCNMOIFDETHCPJQ-UHFFFAOYSA-N
XLogP2.51
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N''-Di-indan-4-yl-guanidine
CID 10108342
2-methyl-1-[7-[(N'-methylcarbamimidoyl)amino]-9H-fluoren-2-yl]guanidine
CID 11220559
2-propan-2-yl-1-[7-[(N'-propan-2-ylcarbamimidoyl)amino]-9H-fluoren-2-yl]guanidine
CID 11222282
2-N,7-N-bis(4,5-dihydro-1H-imidazol-2-yl)-9H-fluorene-2,7-diamine
CID 24799812
2-ethyl-1-[7-[(N'-ethylcarbamimidoyl)amino]-9H-fluoren-2-yl]guanidine
CID 11382121
2-N,6-N-bis(4,5-dihydro-1H-imidazol-2-yl)-9H-fluorene-2,6-diamine
CID 44125946
2-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-9H-fluoren-2-yl]guanidine;dihydrochloride
CID 118712662
1-[7-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)-9H-fluoren-2-yl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 13580723
1-Amino-2-methyl-3-(2,4,5-trimethylphenyl)guanidine
CID 2725587
1-[7-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)-9H-fluoren-2-yl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 13580722
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]guanidine
CID 109890816
2-[3-(3,5-difluorophenyl)propyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 109922366

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine (CID 116511868) is 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine is CC/N=C(\NN)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine?
The InChIKey is CNMOIFDETHCPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-18-16(20-17)19-13-7-8-15-12(10-13)9-11-5-3-4-6-14(11)15/h3-8,10H,2,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine?
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine has a molecular weight of 266.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine is sourced from PubChem (CID 116511868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).