4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine

C10H20F3N — CID 115513588

IUPAC4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
SMILESCC(C)CCCNCCCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-9(2)5-3-7-14-8-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyVCVNFWFLFRQLFO-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.35
Rot. Bonds7

About 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine

4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine (PubChem CID 115513588) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
PubChem CID115513588
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
SMILESCC(C)CCCNCCCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-9(2)5-3-7-14-8-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyVCVNFWFLFRQLFO-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.35
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

4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
N-(2-fluoroethyl)-4-methylpentan-1-amine
CID 80695827
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513417
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine (CID 115513588) is 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine is CC(C)CCCNCCCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine?
The InChIKey is VCVNFWFLFRQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-9(2)5-3-7-14-8-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine?
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine has a molecular weight of 211.27 g/mol, XLogP of 3.35, 7 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-trifluorobutyl)pentan-1-amine is sourced from PubChem (CID 115513588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).