N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide

C12H16FN3 — CID 61362919

IUPACN-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3/c13-10-7-5-9(6-8-10)12(16-14)15-11-3-1-2-4-11/h5-8,11H,1-4,14H2,(H,15,16)
InChIKeyIMBUCEFMZANQSU-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.98
Rot. Bonds2

About N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide

N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide (PubChem CID 61362919) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
PubChem CID61362919
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC NameN-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3/c13-10-7-5-9(6-8-10)12(16-14)15-11-3-1-2-4-11/h5-8,11H,1-4,14H2,(H,15,16)
InChIKeyIMBUCEFMZANQSU-UHFFFAOYSA-N
XLogP1.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536
N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
CID 61361337
N-amino-N'-cyclohexyl-6-oxo-1H-pyridine-3-carboximidamide
CID 136710814
N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
CID 61360532
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117
N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
CID 62921240
N-amino-N'-cyclohexyl-4-fluoro-3-methoxybenzenecarboximidamide
CID 81284145
N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63049159
N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
CID 63742348
N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
CID 61361506
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 81307820

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide (CID 61362919) is N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide is NN/C(=N\C1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
The InChIKey is IMBUCEFMZANQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c13-10-7-5-9(6-8-10)12(16-14)15-11-3-1-2-4-11/h5-8,11H,1-4,14H2,(H,15,16).
What are the key properties of N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide?
N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide has a molecular weight of 221.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 61362919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).