3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine

C9H18FN — CID 163835903

IUPAC3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
SMILESC=C(C)C(C)(F)C(C)CNC
InChIInChI=1S/C9H18FN/c1-7(2)9(4,10)8(3)6-11-5/h8,11H,1,6H2,2-5H3
InChIKeyOHSAZOYDHCWVMA-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.15
Rot. Bonds4

About 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine

3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine (PubChem CID 163835903) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine.

Molecular Properties

Compound Name3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
PubChem CID163835903
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
SMILESC=C(C)C(C)(F)C(C)CNC
InChIInChI=1S/C9H18FN/c1-7(2)9(4,10)8(3)6-11-5/h8,11H,1,6H2,2-5H3
InChIKeyOHSAZOYDHCWVMA-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine?
The IUPAC name of 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine (CID 163835903) is 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine.
What is the SMILES notation for 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine?
The canonical SMILES for 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine is C=C(C)C(C)(F)C(C)CNC.
What is the InChIKey of 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine?
The InChIKey is OHSAZOYDHCWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)9(4,10)8(3)6-11-5/h8,11H,1,6H2,2-5H3.
What are the key properties of 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine?
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine is sourced from PubChem (CID 163835903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).