N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C15H29F3N2O — CID 63740491

IUPACN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C15H29F3N2O/c1-4-7-20(11-15(16,17)18)10-14(9-19-13(2)3)6-5-8-21-12-14/h13,19H,4-12H2,1-3H3
InChIKeyIGTGIMKTQVEPDD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.06
Rot. Bonds8

About N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63740491) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63740491
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C15H29F3N2O/c1-4-7-20(11-15(16,17)18)10-14(9-19-13(2)3)6-5-8-21-12-14/h13,19H,4-12H2,1-3H3
InChIKeyIGTGIMKTQVEPDD-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63740491) is N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC(F)(F)F)CC1(CNC(C)C)CCCOC1.
What is the InChIKey of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is IGTGIMKTQVEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-7-20(11-15(16,17)18)10-14(9-19-13(2)3)6-5-8-21-12-14/h13,19H,4-12H2,1-3H3.
What are the key properties of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63740491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).