5-fluoro-2-propylpent-2-ene-1,4-diamine

C8H17FN2 — CID 54308569

IUPAC5-fluoro-2-propylpent-2-ene-1,4-diamine
SMILESCCCC(=CC(N)CF)CN
InChIInChI=1S/C8H17FN2/c1-2-3-7(6-10)4-8(11)5-9/h4,8H,2-3,5-6,10-11H2,1H3
InChIKeySJGNPGOSBNNQCU-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.97
Rot. Bonds5

About 5-fluoro-2-propylpent-2-ene-1,4-diamine

5-fluoro-2-propylpent-2-ene-1,4-diamine (PubChem CID 54308569) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 5-fluoro-2-propylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-propylpent-2-ene-1,4-diamine
PubChem CID54308569
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name5-fluoro-2-propylpent-2-ene-1,4-diamine
SMILESCCCC(=CC(N)CF)CN
InChIInChI=1S/C8H17FN2/c1-2-3-7(6-10)4-8(11)5-9/h4,8H,2-3,5-6,10-11H2,1H3
InChIKeySJGNPGOSBNNQCU-UHFFFAOYSA-N
XLogP0.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methylhept-5-en-2-amine, (+-)-
CID 31179
5-Hepten-1-amine, 6-methyl-
CID 12046652
(E)-5-fluoro-2-methylpent-2-ene-1,4-diamine
CID 13109093
(E)-1,1-difluoro-4-methylhept-3-ene-2,5-diamine
CID 20476198
(E)-1-fluoro-4-methylhept-3-ene-2,5-diamine
CID 20476203
(E)-1-fluoro-4-methylhex-3-ene-2,5-diamine
CID 20476210
(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine
CID 22825119
(E)-5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
CID 22825120
(E)-3-ethyl-5-fluoropent-2-ene-1,4-diamine
CID 22825122
(E)-6-fluoro-3-methylhex-2-ene-1,4-diamine
CID 22825129
(2R)-6-Methyl-5-hepten-2-amine
CID 46919417
5-Fluoro-2-methylpent-2-ene-1,4-diamine
CID 53663599

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propylpent-2-ene-1,4-diamine?
The IUPAC name of 5-fluoro-2-propylpent-2-ene-1,4-diamine (CID 54308569) is 5-fluoro-2-propylpent-2-ene-1,4-diamine.
What is the SMILES notation for 5-fluoro-2-propylpent-2-ene-1,4-diamine?
The canonical SMILES for 5-fluoro-2-propylpent-2-ene-1,4-diamine is CCCC(=CC(N)CF)CN.
What is the InChIKey of 5-fluoro-2-propylpent-2-ene-1,4-diamine?
The InChIKey is SJGNPGOSBNNQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-2-3-7(6-10)4-8(11)5-9/h4,8H,2-3,5-6,10-11H2,1H3.
What are the key properties of 5-fluoro-2-propylpent-2-ene-1,4-diamine?
5-fluoro-2-propylpent-2-ene-1,4-diamine has a molecular weight of 160.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propylpent-2-ene-1,4-diamine is sourced from PubChem (CID 54308569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).