(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine

C12H21F3N2 — CID 135269286

IUPAC(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
SMILESC=C(NC)/C(CCCCC(F)(F)F)=C(\C)NC
InChIInChI=1S/C12H21F3N2/c1-9(16-3)11(10(2)17-4)7-5-6-8-12(13,14)15/h16-17H,1,5-8H2,2-4H3/b11-10+
InChIKeyCVYWEGQIHQEODH-ZHACJKMWSA-N
MW250.31 g/mol
LogP3.34
Rot. Bonds7

About (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine

(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine (PubChem CID 135269286) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
PubChem CID135269286
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
SMILESC=C(NC)/C(CCCCC(F)(F)F)=C(\C)NC
InChIInChI=1S/C12H21F3N2/c1-9(16-3)11(10(2)17-4)7-5-6-8-12(13,14)15/h16-17H,1,5-8H2,2-4H3/b11-10+
InChIKeyCVYWEGQIHQEODH-ZHACJKMWSA-N
XLogP3.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine 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 (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine?
The IUPAC name of (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine (CID 135269286) is (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine?
The canonical SMILES for (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine is C=C(NC)/C(CCCCC(F)(F)F)=C(\C)NC.
What is the InChIKey of (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine?
The InChIKey is CVYWEGQIHQEODH-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9(16-3)11(10(2)17-4)7-5-6-8-12(13,14)15/h16-17H,1,5-8H2,2-4H3/b11-10+.
What are the key properties of (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine?
(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine is sourced from PubChem (CID 135269286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).