N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine

C15H21FN2 — CID 164673153

IUPACN-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/N=C/C=C/c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H21FN2/c1-12(2)18(13(3)4)17-11-5-6-14-7-9-15(16)10-8-14/h5-13H,1-4H3/b6-5+,17-11+
InChIKeyDEXOBUKUHIQEND-SJMDQLAASA-N
MW248.35 g/mol
LogP3.94
Rot. Bonds5

About N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine

N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine (PubChem CID 164673153) has the molecular formula C15H21FN2 and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine
PubChem CID164673153
Molecular FormulaC15H21FN2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC NameN-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/N=C/C=C/c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H21FN2/c1-12(2)18(13(3)4)17-11-5-6-14-7-9-15(16)10-8-14/h5-13H,1-4H3/b6-5+,17-11+
InChIKeyDEXOBUKUHIQEND-SJMDQLAASA-N
XLogP3.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine (CID 164673153) is N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine is CC(C)N(/N=C/C=C/c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine?
The InChIKey is DEXOBUKUHIQEND-SJMDQLAASA-N. The full InChI is InChI=1S/C15H21FN2/c1-12(2)18(13(3)4)17-11-5-6-14-7-9-15(16)10-8-14/h5-13H,1-4H3/b6-5+,17-11+.
What are the key properties of N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine?
N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(4-fluorophenyl)prop-2-enylidene]amino]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 164673153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).