N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine

C8H16F3N — CID 83828619

IUPACN,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
SMILESCNCC(CC(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyLMDASJVUFINZBI-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.43
Rot. Bonds4

About N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine

N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine (PubChem CID 83828619) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
PubChem CID83828619
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
SMILESCNCC(CC(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyLMDASJVUFINZBI-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 84716612
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
ethane;N,2,4-trimethylpentan-1-amine
CID 142844862
2-iodo-N,4-dimethylpentan-1-amine
CID 155421161
(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid
CID 125425862
2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
CID 22627126
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
N,4-dimethyl-2-pyrrolidin-1-ylpentan-1-amine
CID 19439849
3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 126844042
N,2-ditert-butyl-4-methylpentan-1-amine
CID 83138454
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine (CID 83828619) is N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine is CNCC(CC(C)C)C(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine?
The InChIKey is LMDASJVUFINZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine?
N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 83828619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).