2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C14H29F3N2O — CID 64825692

IUPAC2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(CCC)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-5-7-18-13(4,11-20)9-12(3)19(8-6-2)10-14(15,16)17/h12,18,20H,5-11H2,1-4H3
InChIKeyGKTDIUNZNIBVCM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds10

About 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 64825692) has the molecular formula C14H29F3N2O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID64825692
Molecular FormulaC14H29F3N2O
Molecular Weight298.39 g/mol
Exact Mass298.22
IUPAC Name2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(CCC)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-5-7-18-13(4,11-20)9-12(3)19(8-6-2)10-14(15,16)17/h12,18,20H,5-11H2,1-4H3
InChIKeyGKTDIUNZNIBVCM-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 64825692) is 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CCCNC(C)(CO)CC(C)N(CCC)CC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is GKTDIUNZNIBVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O/c1-5-7-18-13(4,11-20)9-12(3)19(8-6-2)10-14(15,16)17/h12,18,20H,5-11H2,1-4H3.
What are the key properties of 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 298.39 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 64825692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).