1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol

C16H36N2O2 — CID 62634911

IUPAC1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCCN(C)CC
InChIInChI=1S/C16H36N2O2/c1-4-6-7-8-9-10-13-20-15-16(19)14-17-11-12-18(3)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyPOYQSRXITRQBGZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.27
Rot. Bonds15

About 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol

1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol (PubChem CID 62634911) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
PubChem CID62634911
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNCCN(C)CC
InChIInChI=1S/C16H36N2O2/c1-4-6-7-8-9-10-13-20-15-16(19)14-17-11-12-18(3)5-2/h16-17,19H,4-15H2,1-3H3
InChIKeyPOYQSRXITRQBGZ-UHFFFAOYSA-N
XLogP2.27
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.27
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-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-hexoxypropan-2-ol
CID 55142384
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol (CID 62634911) is 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNCCN(C)CC.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol?
The InChIKey is POYQSRXITRQBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-4-6-7-8-9-10-13-20-15-16(19)14-17-11-12-18(3)5-2/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol?
1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol has a molecular weight of 288.48 g/mol, XLogP of 2.27, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethylamino]-3-octoxypropan-2-ol is sourced from PubChem (CID 62634911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).