(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine

C22H36FN — CID 166907484

IUPAC(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
SMILESC=C(F)/C(=C\C)CN(C)C(=C)/C(C(=C)C)=C(/C)C(C)CCCCC
InChIInChI=1S/C22H36FN/c1-10-12-13-14-17(5)18(6)22(16(3)4)20(8)24(9)15-21(11-2)19(7)23/h11,17H,3,7-8,10,12-15H2,1-2,4-6,9H3/b21-11-,22-18-
InChIKeyPHFLGCMEHOFFOT-KKQJPEOJSA-N
MW333.54 g/mol
LogP6.97
Rot. Bonds11

About (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine

(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine (PubChem CID 166907484) has the molecular formula C22H36FN and a molecular weight of 333.54 g/mol. Its IUPAC name is (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
PubChem CID166907484
Molecular FormulaC22H36FN
Molecular Weight333.54 g/mol
Exact Mass333.28
IUPAC Name(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
SMILESC=C(F)/C(=C\C)CN(C)C(=C)/C(C(=C)C)=C(/C)C(C)CCCCC
InChIInChI=1S/C22H36FN/c1-10-12-13-14-17(5)18(6)22(16(3)4)20(8)24(9)15-21(11-2)19(7)23/h11,17H,3,7-8,10,12-15H2,1-2,4-6,9H3/b21-11-,22-18-
InChIKeyPHFLGCMEHOFFOT-KKQJPEOJSA-N
XLogP6.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.54
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine (CID 166907484) is (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine is C=C(F)/C(=C\C)CN(C)C(=C)/C(C(=C)C)=C(/C)C(C)CCCCC.
What is the InChIKey of (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine?
The InChIKey is PHFLGCMEHOFFOT-KKQJPEOJSA-N. The full InChI is InChI=1S/C22H36FN/c1-10-12-13-14-17(5)18(6)22(16(3)4)20(8)24(9)15-21(11-2)19(7)23/h11,17H,3,7-8,10,12-15H2,1-2,4-6,9H3/b21-11-,22-18-.
What are the key properties of (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine?
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine has a molecular weight of 333.54 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine is sourced from PubChem (CID 166907484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).