4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol

C13H25F3N2O — CID 64825888

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2O/c1-3-7-17-12(2,10-19)6-8-18(11-4-5-11)9-13(14,15)16/h11,17,19H,3-10H2,1-2H3
InChIKeyPAIDTYXXYJPFSA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.15
Rot. Bonds9

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64825888) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64825888
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H25F3N2O/c1-3-7-17-12(2,10-19)6-8-18(11-4-5-11)9-13(14,15)16/h11,17,19H,3-10H2,1-2H3
InChIKeyPAIDTYXXYJPFSA-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol (CID 64825888) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is PAIDTYXXYJPFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-7-17-12(2,10-19)6-8-18(11-4-5-11)9-13(14,15)16/h11,17,19H,3-10H2,1-2H3.
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64825888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).