1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol

C15H33NO3 — CID 155427539

IUPAC1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
SMILESCCCCCCCCC(O)CN(CCO)CC(C)O
InChIInChI=1S/C15H33NO3/c1-3-4-5-6-7-8-9-15(19)13-16(10-11-17)12-14(2)18/h14-15,17-19H,3-13H2,1-2H3
InChIKeyBFANEFWXRNQQJE-UHFFFAOYSA-N
MW275.43 g/mol
LogP1.77
Rot. Bonds13

About 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol

1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol (PubChem CID 155427539) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
PubChem CID155427539
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
SMILESCCCCCCCCC(O)CN(CCO)CC(C)O
InChIInChI=1S/C15H33NO3/c1-3-4-5-6-7-8-9-15(19)13-16(10-11-17)12-14(2)18/h14-15,17-19H,3-13H2,1-2H3
InChIKeyBFANEFWXRNQQJE-UHFFFAOYSA-N
XLogP1.77
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-[3-(dimethylamino)propyl-(2-hydroxyoctadecyl)amino]nonadecan-2-ol
CID 86567590
tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
CID 88928952
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
CID 99119531
1-(dibutylamino)undecan-2-ol
CID 101275149
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
11-[bis(2-hydroxypropyl)amino]-2-octylundecan-1-ol
CID 173431296
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol (CID 155427539) is 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol is CCCCCCCCC(O)CN(CCO)CC(C)O.
What is the InChIKey of 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol?
The InChIKey is BFANEFWXRNQQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-3-4-5-6-7-8-9-15(19)13-16(10-11-17)12-14(2)18/h14-15,17-19H,3-13H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol?
1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 1.77, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol is sourced from PubChem (CID 155427539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).