N-tert-butyl-2-fluorohept-6-yn-1-amine

C11H20FN — CID 107446793

IUPACN-tert-butyl-2-fluorohept-6-yn-1-amine
SMILESC#CCCCC(F)CNC(C)(C)C
InChIInChI=1S/C11H20FN/c1-5-6-7-8-10(12)9-13-11(2,3)4/h1,10,13H,6-9H2,2-4H3
InChIKeyYGNUXNMBGQVGNI-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.52
Rot. Bonds5

About N-tert-butyl-2-fluorohept-6-yn-1-amine

N-tert-butyl-2-fluorohept-6-yn-1-amine (PubChem CID 107446793) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-tert-butyl-2-fluorohept-6-yn-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-fluorohept-6-yn-1-amine
PubChem CID107446793
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-tert-butyl-2-fluorohept-6-yn-1-amine
SMILESC#CCCCC(F)CNC(C)(C)C
InChIInChI=1S/C11H20FN/c1-5-6-7-8-10(12)9-13-11(2,3)4/h1,10,13H,6-9H2,2-4H3
InChIKeyYGNUXNMBGQVGNI-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluorohept-6-yn-1-amine?
The IUPAC name of N-tert-butyl-2-fluorohept-6-yn-1-amine (CID 107446793) is N-tert-butyl-2-fluorohept-6-yn-1-amine.
What is the SMILES notation for N-tert-butyl-2-fluorohept-6-yn-1-amine?
The canonical SMILES for N-tert-butyl-2-fluorohept-6-yn-1-amine is C#CCCCC(F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-fluorohept-6-yn-1-amine?
The InChIKey is YGNUXNMBGQVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-5-6-7-8-10(12)9-13-11(2,3)4/h1,10,13H,6-9H2,2-4H3.
What are the key properties of N-tert-butyl-2-fluorohept-6-yn-1-amine?
N-tert-butyl-2-fluorohept-6-yn-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluorohept-6-yn-1-amine is sourced from PubChem (CID 107446793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).