5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol

C17H38N2O — CID 106809363

IUPAC5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(CC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O/c1-7-17(14-20,18-8-2)10-9-11-19(12-15(3)4)13-16(5)6/h15-16,18,20H,7-14H2,1-6H3
InChIKeyHSLDLBBLMDLHNE-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.13
Rot. Bonds12

About 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol

5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106809363) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106809363
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(CC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O/c1-7-17(14-20,18-8-2)10-9-11-19(12-15(3)4)13-16(5)6/h15-16,18,20H,7-14H2,1-6H3
InChIKeyHSLDLBBLMDLHNE-UHFFFAOYSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809866
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809373
5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
CID 107871606
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
5-[cyclopropyl(2-methylpropyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809449
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808957
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106809363) is 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCN(CC(C)C)CC(C)C.
What is the InChIKey of 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is HSLDLBBLMDLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-7-17(14-20,18-8-2)10-9-11-19(12-15(3)4)13-16(5)6/h15-16,18,20H,7-14H2,1-6H3.
What are the key properties of 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol?
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 286.50 g/mol, XLogP of 3.13, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106809363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).