3-[2-(propan-2-ylamino)ethoxy]butan-1-ol

C9H21NO2 — CID 155331206

IUPAC3-[2-(propan-2-ylamino)ethoxy]butan-1-ol
SMILESCC(C)NCCOC(C)CCO
InChIInChI=1S/C9H21NO2/c1-8(2)10-5-7-12-9(3)4-6-11/h8-11H,4-7H2,1-3H3
InChIKeyASOHELORMYXWRI-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds7

About 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol

3-[2-(propan-2-ylamino)ethoxy]butan-1-ol (PubChem CID 155331206) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol.

Molecular Properties

Compound Name3-[2-(propan-2-ylamino)ethoxy]butan-1-ol
PubChem CID155331206
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-[2-(propan-2-ylamino)ethoxy]butan-1-ol
SMILESCC(C)NCCOC(C)CCO
InChIInChI=1S/C9H21NO2/c1-8(2)10-5-7-12-9(3)4-6-11/h8-11H,4-7H2,1-3H3
InChIKeyASOHELORMYXWRI-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 102986841
4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
CID 106159775
3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 115000912
2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62344392
3-(hydrazinylmethoxy)butan-1-ol
CID 167099986
3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
CID 115002778
N-propan-2-yl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82958196
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
N-methyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62341422
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
(3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
CID 56841193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol?
The IUPAC name of 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol (CID 155331206) is 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol.
What is the SMILES notation for 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol?
The canonical SMILES for 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol is CC(C)NCCOC(C)CCO.
What is the InChIKey of 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol?
The InChIKey is ASOHELORMYXWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2)10-5-7-12-9(3)4-6-11/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol?
3-[2-(propan-2-ylamino)ethoxy]butan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propan-2-ylamino)ethoxy]butan-1-ol is sourced from PubChem (CID 155331206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).