N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine

C17H24F6N2 — CID 143279244

IUPACN,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine
SMILESC=CNC1=CC(C(F)(F)F)=CC(C(F)(F)F)=CC1.CNCCC(C)C
InChIInChI=1S/C11H9F6N.C6H15N/c1-2-18-9-4-3-7(10(12,13)14)5-8(6-9)11(15,16)17;1-6(2)4-5-7-3/h2-3,5-6,18H,1,4H2;6-7H,4-5H2,1-3H3
InChIKeyVALZCNGVRRIWCT-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.24
Rot. Bonds5

About N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine

N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine (PubChem CID 143279244) has the molecular formula C17H24F6N2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine
PubChem CID143279244
Molecular FormulaC17H24F6N2
Molecular Weight370.38 g/mol
Exact Mass370.18
IUPAC NameN,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine
SMILESC=CNC1=CC(C(F)(F)F)=CC(C(F)(F)F)=CC1.CNCCC(C)C
InChIInChI=1S/C11H9F6N.C6H15N/c1-2-18-9-4-3-7(10(12,13)14)5-8(6-9)11(15,16)17;1-6(2)4-5-7-3/h2-3,5-6,18H,1,4H2;6-7H,4-5H2,1-3H3
InChIKeyVALZCNGVRRIWCT-UHFFFAOYSA-N
XLogP5.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine (CID 143279244) is N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine is C=CNC1=CC(C(F)(F)F)=CC(C(F)(F)F)=CC1.CNCCC(C)C.
What is the InChIKey of N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine?
The InChIKey is VALZCNGVRRIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N.C6H15N/c1-2-18-9-4-3-7(10(12,13)14)5-8(6-9)11(15,16)17;1-6(2)4-5-7-3/h2-3,5-6,18H,1,4H2;6-7H,4-5H2,1-3H3.
What are the key properties of N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine?
N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine has a molecular weight of 370.38 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbutan-1-amine;N-ethenyl-3,5-bis(trifluoromethyl)cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143279244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).