1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol

C13H27NO4 — CID 60634131

IUPAC1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCOCCCNCC(O)COCC1CCCO1
InChIInChI=1S/C13H27NO4/c1-2-16-7-4-6-14-9-12(15)10-17-11-13-5-3-8-18-13/h12-15H,2-11H2,1H3
InChIKeyGOHPWTMYJXSKCU-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.56
Rot. Bonds11

About 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 60634131) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID60634131
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCOCCCNCC(O)COCC1CCCO1
InChIInChI=1S/C13H27NO4/c1-2-16-7-4-6-14-9-12(15)10-17-11-13-5-3-8-18-13/h12-15H,2-11H2,1H3
InChIKeyGOHPWTMYJXSKCU-UHFFFAOYSA-N
XLogP0.56
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
CID 83121091
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325500
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
1-methoxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 63928603
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 60634131) is 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol is CCOCCCNCC(O)COCC1CCCO1.
What is the InChIKey of 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is GOHPWTMYJXSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-2-16-7-4-6-14-9-12(15)10-17-11-13-5-3-8-18-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 0.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60634131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).