3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol

C12H25F3N2O — CID 106811239

IUPAC3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2O/c1-4-11(18,8-16)6-5-7-17(10(2)3)9-12(13,14)15/h10,18H,4-9,16H2,1-3H3
InChIKeyOZRMIEIEJDTUDJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.14
Rot. Bonds8

About 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol

3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol (PubChem CID 106811239) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol
PubChem CID106811239
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2O/c1-4-11(18,8-16)6-5-7-17(10(2)3)9-12(13,14)15/h10,18H,4-9,16H2,1-3H3
InChIKeyOZRMIEIEJDTUDJ-UHFFFAOYSA-N
XLogP2.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol with MolForge

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Related Compounds

1-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64819997
1-Amino-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64819999
1-Amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820222
1-Amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820458
1-Amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64820460
1-Amino-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820680
1-Amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
CID 64820899
1-Amino-6-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol
CID 64820901
1-Amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
CID 64821123
1-Amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
CID 64821348
1-Amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol
CID 64821572
1-Amino-5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
CID 64821573

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol (CID 106811239) is 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol is CCC(O)(CN)CCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol?
The InChIKey is OZRMIEIEJDTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-4-11(18,8-16)6-5-7-17(10(2)3)9-12(13,14)15/h10,18H,4-9,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol has a molecular weight of 270.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-3-ol is sourced from PubChem (CID 106811239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).