(3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine

C14H24FN — CID 134424624

IUPAC(3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine
SMILESC=C(CCCCC)N/C(=C/C=C(\C)F)CC
InChIInChI=1S/C14H24FN/c1-5-7-8-9-13(4)16-14(6-2)11-10-12(3)15/h10-11,16H,4-9H2,1-3H3/b12-10+,14-11+
InChIKeyBFKTZRWCCWBVJM-NCPBJGSTSA-N
MW225.35 g/mol
LogP4.84
Rot. Bonds8

About (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine

(3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine (PubChem CID 134424624) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine
PubChem CID134424624
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine
SMILESC=C(CCCCC)N/C(=C/C=C(\C)F)CC
InChIInChI=1S/C14H24FN/c1-5-7-8-9-13(4)16-14(6-2)11-10-12(3)15/h10-11,16H,4-9H2,1-3H3/b12-10+,14-11+
InChIKeyBFKTZRWCCWBVJM-NCPBJGSTSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine (CID 134424624) is (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine is C=C(CCCCC)N/C(=C/C=C(\C)F)CC.
What is the InChIKey of (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine?
The InChIKey is BFKTZRWCCWBVJM-NCPBJGSTSA-N. The full InChI is InChI=1S/C14H24FN/c1-5-7-8-9-13(4)16-14(6-2)11-10-12(3)15/h10-11,16H,4-9H2,1-3H3/b12-10+,14-11+.
What are the key properties of (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine?
(3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine has a molecular weight of 225.35 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-N-hept-1-en-2-ylhepta-3,5-dien-3-amine is sourced from PubChem (CID 134424624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).