5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine

C15H23FN2 — CID 123434542

IUPAC5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine
SMILESC/N=C(\C)c1ccc(F)cc1C(C)CCCCN
InChIInChI=1S/C15H23FN2/c1-11(6-4-5-9-17)15-10-13(16)7-8-14(15)12(2)18-3/h7-8,10-11H,4-6,9,17H2,1-3H3/b18-12+
InChIKeyHUHJWSPMHJBODU-LDADJPATSA-N
MW250.36 g/mol
LogP3.50
Rot. Bonds6

About 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine

5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine (PubChem CID 123434542) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine.

Molecular Properties

Compound Name5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine
PubChem CID123434542
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine
SMILESC/N=C(\C)c1ccc(F)cc1C(C)CCCCN
InChIInChI=1S/C15H23FN2/c1-11(6-4-5-9-17)15-10-13(16)7-8-14(15)12(2)18-3/h7-8,10-11H,4-6,9,17H2,1-3H3/b18-12+
InChIKeyHUHJWSPMHJBODU-LDADJPATSA-N
XLogP3.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine?
The IUPAC name of 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine (CID 123434542) is 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine.
What is the SMILES notation for 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine?
The canonical SMILES for 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine is C/N=C(\C)c1ccc(F)cc1C(C)CCCCN.
What is the InChIKey of 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine?
The InChIKey is HUHJWSPMHJBODU-LDADJPATSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(6-4-5-9-17)15-10-13(16)7-8-14(15)12(2)18-3/h7-8,10-11H,4-6,9,17H2,1-3H3/b18-12+.
What are the key properties of 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine?
5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(C,N-dimethylcarbonimidoyl)-5-fluorophenyl]hexan-1-amine is sourced from PubChem (CID 123434542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).