1-(3-hydroxypropylamino)-3-octoxypropan-2-ol

C14H31NO3 — CID 60634002

IUPAC1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCCCO
InChIInChI=1S/C14H31NO3/c1-2-3-4-5-6-7-11-18-13-14(17)12-15-9-8-10-16/h14-17H,2-13H2,1H3
InChIKeySEHNLKDBOCVUBG-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.70
Rot. Bonds14

About 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol

1-(3-hydroxypropylamino)-3-octoxypropan-2-ol (PubChem CID 60634002) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
PubChem CID60634002
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCCCO
InChIInChI=1S/C14H31NO3/c1-2-3-4-5-6-7-11-18-13-14(17)12-15-9-8-10-16/h14-17H,2-13H2,1H3
InChIKeySEHNLKDBOCVUBG-UHFFFAOYSA-N
XLogP1.70
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.70
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

4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
CID 62634911
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol?
The IUPAC name of 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol (CID 60634002) is 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol.
What is the SMILES notation for 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol?
The canonical SMILES for 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNCCCO.
What is the InChIKey of 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol?
The InChIKey is SEHNLKDBOCVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-2-3-4-5-6-7-11-18-13-14(17)12-15-9-8-10-16/h14-17H,2-13H2,1H3.
What are the key properties of 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol?
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 1.70, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropylamino)-3-octoxypropan-2-ol is sourced from PubChem (CID 60634002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).