N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine

C13H25F3N2O — CID 115520420

IUPACN-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
SMILESCCCNC1COCC1CNCCCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-2-6-18-12-10-19-9-11(12)8-17-7-4-3-5-13(14,15)16/h11-12,17-18H,2-10H2,1H3
InChIKeyOUAUCMQKHBSJMI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.32
Rot. Bonds9

About N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine

N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine (PubChem CID 115520420) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
PubChem CID115520420
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
SMILESCCCNC1COCC1CNCCCCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-2-6-18-12-10-19-9-11(12)8-17-7-4-3-5-13(14,15)16/h11-12,17-18H,2-10H2,1H3
InChIKeyOUAUCMQKHBSJMI-UHFFFAOYSA-N
XLogP2.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
The IUPAC name of N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine (CID 115520420) is N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine.
What is the SMILES notation for N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
The canonical SMILES for N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine is CCCNC1COCC1CNCCCCC(F)(F)F.
What is the InChIKey of N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
The InChIKey is OUAUCMQKHBSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-6-18-12-10-19-9-11(12)8-17-7-4-3-5-13(14,15)16/h11-12,17-18H,2-10H2,1H3.
What are the key properties of N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine has a molecular weight of 282.35 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 115520420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).