4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol

C12H27NO3 — CID 64898660

IUPAC4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COCCOCCC
InChIInChI=1S/C12H27NO3/c1-3-6-13-12(5-7-14)11-16-10-9-15-8-4-2/h12-14H,3-11H2,1-2H3
InChIKeyAWHBHARPLSEVRU-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds12

About 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol

4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol (PubChem CID 64898660) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
PubChem CID64898660
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COCCOCCC
InChIInChI=1S/C12H27NO3/c1-3-6-13-12(5-7-14)11-16-10-9-15-8-4-2/h12-14H,3-11H2,1-2H3
InChIKeyAWHBHARPLSEVRU-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
CID 64900179
1-propoxy-N-propylheptan-4-amine
CID 79568616
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
3-(3,3-dimethylbutoxy)-2-(propylamino)propan-1-ol
CID 66227333
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol (CID 64898660) is 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol is CCCNC(CCO)COCCOCCC.
What is the InChIKey of 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol?
The InChIKey is AWHBHARPLSEVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-3-6-13-12(5-7-14)11-16-10-9-15-8-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol?
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).