4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine

C12H27NO3 — CID 103490793

IUPAC4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCCOCC(C)OCCCCNCCOC
InChIInChI=1S/C12H27NO3/c1-4-15-11-12(2)16-9-6-5-7-13-8-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyACBDQRIAXBJEAH-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.44
Rot. Bonds12

About 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine

4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 103490793) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
PubChem CID103490793
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCCOCC(C)OCCCCNCCOC
InChIInChI=1S/C12H27NO3/c1-4-15-11-12(2)16-9-6-5-7-13-8-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyACBDQRIAXBJEAH-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751
4-(1-ethoxypropan-2-yloxy)-N-methylbutan-1-amine
CID 103490477
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
CID 62583063
N-(2-methoxyethyl)-3-(4-methylpentan-2-yloxy)propan-1-amine
CID 62570955
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 103490717
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
1-ethoxypropan-2-yl 2-(2-methoxyethylamino)acetate
CID 103488949
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine (CID 103490793) is 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine is CCOCC(C)OCCCCNCCOC.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is ACBDQRIAXBJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-15-11-12(2)16-9-6-5-7-13-8-10-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine?
4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 103490793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).