1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol

C12H27NO3 — CID 107263779

IUPAC1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
SMILESCCCCOCC(O)CN(CCC)CCO
InChIInChI=1S/C12H27NO3/c1-3-5-9-16-11-12(15)10-13(6-4-2)7-8-14/h12,14-15H,3-11H2,1-2H3
InChIKeyZXLKRKWBZGSCLH-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.87
Rot. Bonds11

About 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol

1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol (PubChem CID 107263779) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
PubChem CID107263779
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
SMILESCCCCOCC(O)CN(CCC)CCO
InChIInChI=1S/C12H27NO3/c1-3-5-9-16-11-12(15)10-13(6-4-2)7-8-14/h12,14-15H,3-11H2,1-2H3
InChIKeyZXLKRKWBZGSCLH-UHFFFAOYSA-N
XLogP0.87
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.87
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

1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
CID 156568864
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
1-[bis(2-hydroxyethyl)amino]-3-[2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[3-[bis(2-hydroxyethyl)amino]propoxymethyl]-3-propoxypropoxy]propan-2-ol
CID 129270890
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 95232031
1-[bis(2-hydroxyethyl)amino]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol chloride
CID 53347350
2-hexyldecyl 6-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]hexanoate
CID 168858065

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol (CID 107263779) is 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol is CCCCOCC(O)CN(CCC)CCO.
What is the InChIKey of 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
The InChIKey is ZXLKRKWBZGSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-3-5-9-16-11-12(15)10-13(6-4-2)7-8-14/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 0.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 107263779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).