1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C13H20F3N — CID 150649257

IUPAC1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCCCC1=C(C(F)(F)F)C=CC(N)(CCC)C1
InChIInChI=1S/C13H20F3N/c1-3-5-10-9-12(17,7-4-2)8-6-11(10)13(14,15)16/h6,8H,3-5,7,9,17H2,1-2H3
InChIKeyJBNKJBRUGGMKCS-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.10
Rot. Bonds4

About 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 150649257) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID150649257
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCCCC1=C(C(F)(F)F)C=CC(N)(CCC)C1
InChIInChI=1S/C13H20F3N/c1-3-5-10-9-12(17,7-4-2)8-6-11(10)13(14,15)16/h6,8H,3-5,7,9,17H2,1-2H3
InChIKeyJBNKJBRUGGMKCS-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 150649257) is 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CCCC1=C(C(F)(F)F)C=CC(N)(CCC)C1.
What is the InChIKey of 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is JBNKJBRUGGMKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-3-5-10-9-12(17,7-4-2)8-6-11(10)13(14,15)16/h6,8H,3-5,7,9,17H2,1-2H3.
What are the key properties of 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 247.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 150649257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).