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

C16H35NO3 — CID 60634251

IUPAC1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCCCOCC
InChIInChI=1S/C16H35NO3/c1-3-5-6-7-8-9-12-20-15-16(18)14-17-11-10-13-19-4-2/h16-18H,3-15H2,1-2H3
InChIKeyLSXCFZPOHOKDKI-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.74
Rot. Bonds16

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

1-(3-ethoxypropylamino)-3-octoxypropan-2-ol (PubChem CID 60634251) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
PubChem CID60634251
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCCCOCC
InChIInChI=1S/C16H35NO3/c1-3-5-6-7-8-9-12-20-15-16(18)14-17-11-10-13-19-4-2/h16-18H,3-15H2,1-2H3
InChIKeyLSXCFZPOHOKDKI-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.74
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-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
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-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
CID 62634911
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol?
The IUPAC name of 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol (CID 60634251) is 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol.
What is the SMILES notation for 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol?
The canonical SMILES for 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNCCCOCC.
What is the InChIKey of 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol?
The InChIKey is LSXCFZPOHOKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-3-5-6-7-8-9-12-20-15-16(18)14-17-11-10-13-19-4-2/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol?
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.74, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylamino)-3-octoxypropan-2-ol is sourced from PubChem (CID 60634251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).