2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol

C11H21F3N2O — CID 64827880

IUPAC2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-8(5-10(2,15)7-17)16(9-3-4-9)6-11(12,13)14/h8-9,17H,3-7,15H2,1-2H3
InChIKeyZJXMJDRPDJYENZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol

2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol (PubChem CID 64827880) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
PubChem CID64827880
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-8(5-10(2,15)7-17)16(9-3-4-9)6-11(12,13)14/h8-9,17H,3-7,15H2,1-2H3
InChIKeyZJXMJDRPDJYENZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64712177
4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
CID 64705974
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211
2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
CID 64826690
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
CID 64826486
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
2-N-cyclopropyl-1-N-pentan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568495
2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol
CID 64826223
2-amino-3-[butyl(cyclopropyl)amino]-2-methylpropan-1-ol
CID 64826521
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
CID 64798812

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol (CID 64827880) is 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol is CC(CC(C)(N)CO)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol?
The InChIKey is ZJXMJDRPDJYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(5-10(2,15)7-17)16(9-3-4-9)6-11(12,13)14/h8-9,17H,3-7,15H2,1-2H3.
What are the key properties of 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol?
2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 64827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).