N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine

C12H22F3N — CID 115895750

IUPACN-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine
SMILESCC(C)C(NCCCCC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3N/c1-9(2)11(10-5-6-10)16-8-4-3-7-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyUUZCPCUCYXLTDN-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds7

About N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine

N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 115895750) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine
PubChem CID115895750
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC NameN-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine
SMILESCC(C)C(NCCCCC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3N/c1-9(2)11(10-5-6-10)16-8-4-3-7-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyUUZCPCUCYXLTDN-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
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

1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 104584711
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
CID 113350885
1-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropan-1-amine
CID 115712459
5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
CID 113326892
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine (CID 115895750) is N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine is CC(C)C(NCCCCC(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is UUZCPCUCYXLTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-9(2)11(10-5-6-10)16-8-4-3-7-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine?
N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 237.31 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 N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115895750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).