5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine

C11H22F3N — CID 81343293

IUPAC5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
SMILESCC(C)CCC(C)NCCCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2)5-6-10(3)15-8-4-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyDQCCZGYGDVTCQJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds7

About 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine

5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine (PubChem CID 81343293) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
PubChem CID81343293
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
SMILESCC(C)CCC(C)NCCCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2)5-6-10(3)15-8-4-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyDQCCZGYGDVTCQJ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 107859586
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine (CID 81343293) is 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine is CC(C)CCC(C)NCCCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine?
The InChIKey is DQCCZGYGDVTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-9(2)5-6-10(3)15-8-4-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine?
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine is sourced from PubChem (CID 81343293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).