N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine

C10H19F3N2O — CID 115520232

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine
SMILESNCC1CCC(CNCCCC(F)(F)F)O1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)4-1-5-15-7-9-3-2-8(6-14)16-9/h8-9,15H,1-7,14H2
InChIKeyJASJSLNOZUQXJN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.42
Rot. Bonds6

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 115520232) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID115520232
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine
SMILESNCC1CCC(CNCCCC(F)(F)F)O1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)4-1-5-15-7-9-3-2-8(6-14)16-9/h8-9,15H,1-7,14H2
InChIKeyJASJSLNOZUQXJN-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115486702
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 82959151
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
5-[(3-cyclopropylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103267996
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
2-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]ethanamine
CID 142994239
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine (CID 115520232) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine is NCC1CCC(CNCCCC(F)(F)F)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is JASJSLNOZUQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)4-1-5-15-7-9-3-2-8(6-14)16-9/h8-9,15H,1-7,14H2.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115520232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).