N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide

C15H22FN3 — CID 63049159

IUPACN-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(=N/C1CCCCCC1)NN
InChIInChI=1S/C15H22FN3/c1-11-8-9-12(16)10-14(11)15(19-17)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,17H2,1H3,(H,18,19)
InChIKeyMKYMUDHOSAOQII-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.07
Rot. Bonds2

About N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide

N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide (PubChem CID 63049159) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
PubChem CID63049159
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(=N/C1CCCCCC1)NN
InChIInChI=1S/C15H22FN3/c1-11-8-9-12(16)10-14(11)15(19-17)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,17H2,1H3,(H,18,19)
InChIKeyMKYMUDHOSAOQII-UHFFFAOYSA-N
XLogP3.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.07
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-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
CID 61361337
N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61362919
N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63182121
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
N-amino-2-bromo-N'-cyclohexyl-3-methylbenzenecarboximidamide
CID 107983770
N-amino-N'-tert-butyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63048983
N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide
CID 61361742
N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide
CID 136812700
N-amino-3-chloro-N'-cyclopentyl-2-methylbenzenecarboximidamide
CID 107099700
N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61363510
N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
CID 61360532
N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
CID 61362756

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide (CID 63049159) is N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide is Cc1ccc(F)cc1/C(=N/C1CCCCCC1)NN.
What is the InChIKey of N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide?
The InChIKey is MKYMUDHOSAOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-11-8-9-12(16)10-14(11)15(19-17)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,17H2,1H3,(H,18,19).
What are the key properties of N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide?
N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide has a molecular weight of 263.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide is sourced from PubChem (CID 63049159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).