N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine

C11H20F3N — CID 162616930

IUPACN-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
SMILESC=C(CC)NCC(C)(C(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-6-9(4)15-7-10(5,8(2)3)11(12,13)14/h8,15H,4,6-7H2,1-3,5H3
InChIKeyLBDYWBNYWFRMBH-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.72
Rot. Bonds5

About N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine

N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine (PubChem CID 162616930) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
PubChem CID162616930
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC NameN-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
SMILESC=C(CC)NCC(C)(C(C)C)C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-6-9(4)15-7-10(5,8(2)3)11(12,13)14/h8,15H,4,6-7H2,1-3,5H3
InChIKeyLBDYWBNYWFRMBH-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine?
The IUPAC name of N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine (CID 162616930) is N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine is C=C(CC)NCC(C)(C(C)C)C(F)(F)F.
What is the InChIKey of N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine?
The InChIKey is LBDYWBNYWFRMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-6-9(4)15-7-10(5,8(2)3)11(12,13)14/h8,15H,4,6-7H2,1-3,5H3.
What are the key properties of N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine?
N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 162616930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).