6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine

C10H18FN — CID 10080829

IUPAC6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine
SMILESC#CCN(C)CCCCCCF
InChIInChI=1S/C10H18FN/c1-3-9-12(2)10-7-5-4-6-8-11/h1H,4-10H2,2H3
InChIKeyLKBRDFKFQDXADY-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.08
Rot. Bonds7

About 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine

6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine (PubChem CID 10080829) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine
PubChem CID10080829
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine
SMILESC#CCN(C)CCCCCCF
InChIInChI=1S/C10H18FN/c1-3-9-12(2)10-7-5-4-6-8-11/h1H,4-10H2,2H3
InChIKeyLKBRDFKFQDXADY-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
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 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine?
The IUPAC name of 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine (CID 10080829) is 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine is C#CCN(C)CCCCCCF.
What is the InChIKey of 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine?
The InChIKey is LKBRDFKFQDXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-9-12(2)10-7-5-4-6-8-11/h1H,4-10H2,2H3.
What are the key properties of 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine?
6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-prop-2-ynylhexan-1-amine is sourced from PubChem (CID 10080829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).