2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol

C15H34N2O2 — CID 106808842

IUPAC2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(C)CCCOC
InChIInChI=1S/C15H34N2O2/c1-5-10-16-15(6-2,14-18)9-7-11-17(3)12-8-13-19-4/h16,18H,5-14H2,1-4H3
InChIKeyBGTNLALHEXCPKZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.88
Rot. Bonds13

About 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol

2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol (PubChem CID 106808842) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
PubChem CID106808842
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(C)CCCOC
InChIInChI=1S/C15H34N2O2/c1-5-10-16-15(6-2,14-18)9-7-11-17(3)12-8-13-19-4/h16,18H,5-14H2,1-4H3
InChIKeyBGTNLALHEXCPKZ-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808957
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
2-ethyl-5-[2-methoxyethyl(3-methoxypropyl)amino]-2-(methylamino)pentan-1-ol
CID 106809480
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64790469
2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904
5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
2-(cyclopropylamino)-2-ethyl-5-[methyl(pentyl)amino]pentan-1-ol
CID 106809226
5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809866

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol (CID 106808842) is 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN(C)CCCOC.
What is the InChIKey of 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol?
The InChIKey is BGTNLALHEXCPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-5-10-16-15(6-2,14-18)9-7-11-17(3)12-8-13-19-4/h16,18H,5-14H2,1-4H3.
What are the key properties of 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol?
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 1.88, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106808842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).