N-tert-butyl-2-fluorohex-5-yn-1-amine

C10H18FN — CID 107446619

IUPACN-tert-butyl-2-fluorohex-5-yn-1-amine
SMILESC#CCCC(F)CNC(C)(C)C
InChIInChI=1S/C10H18FN/c1-5-6-7-9(11)8-12-10(2,3)4/h1,9,12H,6-8H2,2-4H3
InChIKeyPJVUWQMTWNWBMX-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.13
Rot. Bonds4

About N-tert-butyl-2-fluorohex-5-yn-1-amine

N-tert-butyl-2-fluorohex-5-yn-1-amine (PubChem CID 107446619) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-tert-butyl-2-fluorohex-5-yn-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-fluorohex-5-yn-1-amine
PubChem CID107446619
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-tert-butyl-2-fluorohex-5-yn-1-amine
SMILESC#CCCC(F)CNC(C)(C)C
InChIInChI=1S/C10H18FN/c1-5-6-7-9(11)8-12-10(2,3)4/h1,9,12H,6-8H2,2-4H3
InChIKeyPJVUWQMTWNWBMX-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluorohex-5-yn-1-amine?
The IUPAC name of N-tert-butyl-2-fluorohex-5-yn-1-amine (CID 107446619) is N-tert-butyl-2-fluorohex-5-yn-1-amine.
What is the SMILES notation for N-tert-butyl-2-fluorohex-5-yn-1-amine?
The canonical SMILES for N-tert-butyl-2-fluorohex-5-yn-1-amine is C#CCCC(F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-fluorohex-5-yn-1-amine?
The InChIKey is PJVUWQMTWNWBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-6-7-9(11)8-12-10(2,3)4/h1,9,12H,6-8H2,2-4H3.
What are the key properties of N-tert-butyl-2-fluorohex-5-yn-1-amine?
N-tert-butyl-2-fluorohex-5-yn-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluorohex-5-yn-1-amine is sourced from PubChem (CID 107446619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).