N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide

C14H19F2N3 — CID 61361337

IUPACN-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3/c15-10-7-8-12(13(16)9-10)14(19-17)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,17H2,(H,18,19)
InChIKeyDHOOZRZMERCOMM-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.90
Rot. Bonds2

About N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide

N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide (PubChem CID 61361337) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
PubChem CID61361337
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3/c15-10-7-8-12(13(16)9-10)14(19-17)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,17H2,(H,18,19)
InChIKeyDHOOZRZMERCOMM-UHFFFAOYSA-N
XLogP2.90
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide (CID 61361337) is N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide is NN/C(=N\C1CCCCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide?
The InChIKey is DHOOZRZMERCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c15-10-7-8-12(13(16)9-10)14(19-17)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,17H2,(H,18,19).
What are the key properties of N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide?
N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide has a molecular weight of 267.32 g/mol, XLogP of 2.90, 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-2,4-difluorobenzenecarboximidamide is sourced from PubChem (CID 61361337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).