4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine

C11H22F3N — CID 115892026

IUPAC4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
SMILESCCC(C)CC(C)NC(C)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-5-8(2)6-9(3)15-10(4)7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyOUJIEPDDZUVRMN-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds6

About 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine

4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine (PubChem CID 115892026) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
PubChem CID115892026
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
SMILESCCC(C)CC(C)NC(C)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-5-8(2)6-9(3)15-10(4)7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyOUJIEPDDZUVRMN-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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Related Compounds

5-methyl-N-(4,4,4-trifluorobutan-2-yl)heptan-3-amine
CID 104860331
1,1,1-trifluoro-3-methylpentane
CID 21020397
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115705335
2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide
CID 123295140
4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
CID 103780265
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
N-methyl-3-(4-methylhexan-2-ylamino)butanamide
CID 115892025
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896543
methyl 2-(4-methylhexan-2-ylamino)butanoate
CID 115353461

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine?
The IUPAC name of 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine (CID 115892026) is 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine.
What is the SMILES notation for 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine?
The canonical SMILES for 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine is CCC(C)CC(C)NC(C)CC(F)(F)F.
What is the InChIKey of 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine?
The InChIKey is OUJIEPDDZUVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-5-8(2)6-9(3)15-10(4)7-11(12,13)14/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine?
4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-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 4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine is sourced from PubChem (CID 115892026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).