4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol

C11H25NO3 — CID 107263164

IUPAC4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
SMILESCCCCOCC(O)CNCCCCO
InChIInChI=1S/C11H25NO3/c1-2-3-8-15-10-11(14)9-12-6-4-5-7-13/h11-14H,2-10H2,1H3
InChIKeyDFJXJLDRWSLPJH-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.53
Rot. Bonds11

About 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol

4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 107263164) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
PubChem CID107263164
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
SMILESCCCCOCC(O)CNCCCCO
InChIInChI=1S/C11H25NO3/c1-2-3-8-15-10-11(14)9-12-6-4-5-7-13/h11-14H,2-10H2,1H3
InChIKeyDFJXJLDRWSLPJH-UHFFFAOYSA-N
XLogP0.53
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.53
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-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-butoxyethoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310144
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-butoxy-3-(pent-4-ynylamino)propan-2-ol
CID 106221181
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol (CID 107263164) is 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol is CCCCOCC(O)CNCCCCO.
What is the InChIKey of 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is DFJXJLDRWSLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-2-3-8-15-10-11(14)9-12-6-4-5-7-13/h11-14H,2-10H2,1H3.
What are the key properties of 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol?
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 219.32 g/mol, XLogP of 0.53, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 107263164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).