N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine

C9H17F3N2O — CID 66245786

IUPACN-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine
SMILESCNC1COCC1CNCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-13-8-6-15-5-7(8)4-14-3-2-9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyBWYHOEUVVYHNEO-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.76
Rot. Bonds5

About N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine

N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine (PubChem CID 66245786) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine
PubChem CID66245786
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine
SMILESCNC1COCC1CNCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-13-8-6-15-5-7(8)4-14-3-2-9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyBWYHOEUVVYHNEO-UHFFFAOYSA-N
XLogP0.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.76
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-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine (CID 66245786) is N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine is CNC1COCC1CNCCC(F)(F)F.
What is the InChIKey of N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine?
The InChIKey is BWYHOEUVVYHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-13-8-6-15-5-7(8)4-14-3-2-9(10,11)12/h7-8,13-14H,2-6H2,1H3.
What are the key properties of N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine?
N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).