(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine

C10H17F3N2 — CID 162563285

IUPAC(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine
SMILESCCCN/C(N)=C/C=C(\CC)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-7-15-9(14)6-5-8(4-2)10(11,12)13/h5-6,15H,3-4,7,14H2,1-2H3/b8-5+,9-6+
InChIKeyKGDVPFSRJQHVQG-XVYDYJIPSA-N
MW222.25 g/mol
LogP2.68
Rot. Bonds5

About (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine

(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine (PubChem CID 162563285) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine
PubChem CID162563285
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine
SMILESCCCN/C(N)=C/C=C(\CC)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-7-15-9(14)6-5-8(4-2)10(11,12)13/h5-6,15H,3-4,7,14H2,1-2H3/b8-5+,9-6+
InChIKeyKGDVPFSRJQHVQG-XVYDYJIPSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine?
The IUPAC name of (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine (CID 162563285) is (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine.
What is the SMILES notation for (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine?
The canonical SMILES for (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine is CCCN/C(N)=C/C=C(\CC)C(F)(F)F.
What is the InChIKey of (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine?
The InChIKey is KGDVPFSRJQHVQG-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-7-15-9(14)6-5-8(4-2)10(11,12)13/h5-6,15H,3-4,7,14H2,1-2H3/b8-5+,9-6+.
What are the key properties of (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine?
(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine has a molecular weight of 222.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine is sourced from PubChem (CID 162563285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).