2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine

C11H22F3N — CID 122599078

IUPAC2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine
SMILESCCCCC(C)(C)CNC(C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-5-6-7-10(3,4)8-15-9(2)11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyBECHSABNIHPOPO-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds6

About 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine

2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine (PubChem CID 122599078) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine
PubChem CID122599078
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine
SMILESCCCCC(C)(C)CNC(C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-5-6-7-10(3,4)8-15-9(2)11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyBECHSABNIHPOPO-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine (CID 122599078) is 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine is CCCCC(C)(C)CNC(C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine?
The InChIKey is BECHSABNIHPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-5-6-7-10(3,4)8-15-9(2)11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine?
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine is sourced from PubChem (CID 122599078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).