3-(3-ethoxypropylamino)-4-methoxybutan-1-ol

C10H23NO3 — CID 106159789

IUPAC3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
SMILESCCOCCCNC(CCO)COC
InChIInChI=1S/C10H23NO3/c1-3-14-8-4-6-11-10(5-7-12)9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyGUHJAOWIYMQUGR-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.40
Rot. Bonds10

About 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol

3-(3-ethoxypropylamino)-4-methoxybutan-1-ol (PubChem CID 106159789) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
PubChem CID106159789
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
SMILESCCOCCCNC(CCO)COC
InChIInChI=1S/C10H23NO3/c1-3-14-8-4-6-11-10(5-7-12)9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyGUHJAOWIYMQUGR-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.40
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

4-methoxy-3-(3-methylsulfanylpropylamino)butan-1-ol
CID 106156471
ethyl 6-[(4-hydroxy-1-methoxybutan-2-yl)amino]hexanoate
CID 106159795
4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
CID 106159775
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
4-methoxy-3-(3-methylbut-3-enylamino)butan-1-ol
CID 106159692
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
6-ethoxy-1-methoxy-N-methylhexan-2-amine
CID 65180928
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol?
The IUPAC name of 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol (CID 106159789) is 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol is CCOCCCNC(CCO)COC.
What is the InChIKey of 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol?
The InChIKey is GUHJAOWIYMQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-3-14-8-4-6-11-10(5-7-12)9-13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol?
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)-4-methoxybutan-1-ol is sourced from PubChem (CID 106159789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).