4-fluoro-N-heptan-3-ylhept-2-en-1-amine

C14H28FN — CID 123305580

IUPAC4-fluoro-N-heptan-3-ylhept-2-en-1-amine
SMILESCCCCC(CC)NCC=CC(F)CCC
InChIInChI=1S/C14H28FN/c1-4-7-11-14(6-3)16-12-8-10-13(15)9-5-2/h8,10,13-14,16H,4-7,9,11-12H2,1-3H3
InChIKeyMHGDEVJFUNDXBF-UHFFFAOYSA-N
MW229.38 g/mol
LogP4.24
Rot. Bonds10

About 4-fluoro-N-heptan-3-ylhept-2-en-1-amine

4-fluoro-N-heptan-3-ylhept-2-en-1-amine (PubChem CID 123305580) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is 4-fluoro-N-heptan-3-ylhept-2-en-1-amine.

Molecular Properties

Compound Name4-fluoro-N-heptan-3-ylhept-2-en-1-amine
PubChem CID123305580
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name4-fluoro-N-heptan-3-ylhept-2-en-1-amine
SMILESCCCCC(CC)NCC=CC(F)CCC
InChIInChI=1S/C14H28FN/c1-4-7-11-14(6-3)16-12-8-10-13(15)9-5-2/h8,10,13-14,16H,4-7,9,11-12H2,1-3H3
InChIKeyMHGDEVJFUNDXBF-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.24
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 4-fluoro-N-heptan-3-ylhept-2-en-1-amine?
The IUPAC name of 4-fluoro-N-heptan-3-ylhept-2-en-1-amine (CID 123305580) is 4-fluoro-N-heptan-3-ylhept-2-en-1-amine.
What is the SMILES notation for 4-fluoro-N-heptan-3-ylhept-2-en-1-amine?
The canonical SMILES for 4-fluoro-N-heptan-3-ylhept-2-en-1-amine is CCCCC(CC)NCC=CC(F)CCC.
What is the InChIKey of 4-fluoro-N-heptan-3-ylhept-2-en-1-amine?
The InChIKey is MHGDEVJFUNDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN/c1-4-7-11-14(6-3)16-12-8-10-13(15)9-5-2/h8,10,13-14,16H,4-7,9,11-12H2,1-3H3.
What are the key properties of 4-fluoro-N-heptan-3-ylhept-2-en-1-amine?
4-fluoro-N-heptan-3-ylhept-2-en-1-amine has a molecular weight of 229.38 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-heptan-3-ylhept-2-en-1-amine is sourced from PubChem (CID 123305580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).