5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol

C12H26F2N2O — CID 106809866

IUPAC5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(C)CC(F)F
InChIInChI=1S/C12H26F2N2O/c1-4-12(10-17,15-5-2)7-6-8-16(3)9-11(13)14/h11,15,17H,4-10H2,1-3H3
InChIKeySOODMRLXLJKDMS-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.71
Rot. Bonds10

About 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol

5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106809866) has the molecular formula C12H26F2N2O and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106809866
Molecular FormulaC12H26F2N2O
Molecular Weight252.35 g/mol
Exact Mass252.20
IUPAC Name5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(C)CC(F)F
InChIInChI=1S/C12H26F2N2O/c1-4-12(10-17,15-5-2)7-6-8-16(3)9-11(13)14/h11,15,17H,4-10H2,1-3H3
InChIKeySOODMRLXLJKDMS-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363
5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809373
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 106809124
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
2-ethyl-5-[2-methoxyethyl(methyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809549
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106809866) is 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCN(C)CC(F)F.
What is the InChIKey of 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is SOODMRLXLJKDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2O/c1-4-12(10-17,15-5-2)7-6-8-16(3)9-11(13)14/h11,15,17H,4-10H2,1-3H3.
What are the key properties of 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106809866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).