2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine

C17H23FN2 — CID 43830488

IUPAC2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine
SMILESC=CCN(CC=C)CC(N)(CC=C)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2/c1-4-11-17(19,14-20(12-5-2)13-6-3)15-7-9-16(18)10-8-15/h4-10H,1-3,11-14,19H2
InChIKeyGPWJPJQOKHRZGQ-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.23
Rot. Bonds9

About 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine

2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine (PubChem CID 43830488) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine
PubChem CID43830488
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine
SMILESC=CCN(CC=C)CC(N)(CC=C)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2/c1-4-11-17(19,14-20(12-5-2)13-6-3)15-7-9-16(18)10-8-15/h4-10H,1-3,11-14,19H2
InChIKeyGPWJPJQOKHRZGQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine?
The IUPAC name of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine (CID 43830488) is 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine is C=CCN(CC=C)CC(N)(CC=C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine?
The InChIKey is GPWJPJQOKHRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-4-11-17(19,14-20(12-5-2)13-6-3)15-7-9-16(18)10-8-15/h4-10H,1-3,11-14,19H2.
What are the key properties of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine?
2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine has a molecular weight of 274.38 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine is sourced from PubChem (CID 43830488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).