5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol

C15H29F3N2O — CID 106809377

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2O/c1-3-9-19-14(4-2,12-21)8-5-10-20(13-6-7-13)11-15(16,17)18/h13,19,21H,3-12H2,1-2H3
InChIKeyHODHMDPPOFJSSE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds11

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol (PubChem CID 106809377) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
PubChem CID106809377
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2O/c1-3-9-19-14(4-2,12-21)8-5-10-20(13-6-7-13)11-15(16,17)18/h13,19,21H,3-12H2,1-2H3
InChIKeyHODHMDPPOFJSSE-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Difluoro-5-(3-methylhexan-3-ylamino)pentan-1-ol
CID 155451240
2-Propyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61044740
3-Methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61965064
2-Ethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 63951259
2-(Cyclopropylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64802199
2-(Ethylamino)-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825290
2-Methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)hexan-1-ol
CID 64825291
2-(Ethylamino)-6-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
CID 64825294
2-Methyl-2-(propan-2-ylamino)-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64825298
2-(Ethylamino)-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 64825486
2-Methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)pentan-1-ol
CID 64825487
2-Cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64825488

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol (CID 106809377) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol?
The InChIKey is HODHMDPPOFJSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-9-19-14(4-2,12-21)8-5-10-20(13-6-7-13)11-15(16,17)18/h13,19,21H,3-12H2,1-2H3.
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106809377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).