(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine

C16H29F3N2 — CID 142921333

IUPAC(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine
SMILESCCCCCN(CCCC)/C(=C/C=C(\C)C(F)(F)F)NC
InChIInChI=1S/C16H29F3N2/c1-5-7-9-13-21(12-8-6-2)15(20-4)11-10-14(3)16(17,18)19/h10-11,20H,5-9,12-13H2,1-4H3/b14-10+,15-11+
InChIKeyQIYTUKUJCCAEPO-WFYKWJGLSA-N
MW306.42 g/mol
LogP4.85
Rot. Bonds10

About (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine

(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine (PubChem CID 142921333) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine
PubChem CID142921333
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine
SMILESCCCCCN(CCCC)/C(=C/C=C(\C)C(F)(F)F)NC
InChIInChI=1S/C16H29F3N2/c1-5-7-9-13-21(12-8-6-2)15(20-4)11-10-14(3)16(17,18)19/h10-11,20H,5-9,12-13H2,1-4H3/b14-10+,15-11+
InChIKeyQIYTUKUJCCAEPO-WFYKWJGLSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine?
The IUPAC name of (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine (CID 142921333) is (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine?
The canonical SMILES for (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine is CCCCCN(CCCC)/C(=C/C=C(\C)C(F)(F)F)NC.
What is the InChIKey of (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine?
The InChIKey is QIYTUKUJCCAEPO-WFYKWJGLSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-5-7-9-13-21(12-8-6-2)15(20-4)11-10-14(3)16(17,18)19/h10-11,20H,5-9,12-13H2,1-4H3/b14-10+,15-11+.
What are the key properties of (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine?
(1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine has a molecular weight of 306.42 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-N'-butyl-5,5,5-trifluoro-1-N,4-dimethyl-1-N'-pentylpenta-1,3-diene-1,1-diamine is sourced from PubChem (CID 142921333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).