4-ethoxy-1-propoxy-N-propylbutan-2-amine

C12H27NO2 — CID 112688262

IUPAC4-ethoxy-1-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)COCCC
InChIInChI=1S/C12H27NO2/c1-4-8-13-12(7-10-14-6-3)11-15-9-5-2/h12-13H,4-11H2,1-3H3
InChIKeyRUBTWTYFAKRQBW-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds11

About 4-ethoxy-1-propoxy-N-propylbutan-2-amine

4-ethoxy-1-propoxy-N-propylbutan-2-amine (PubChem CID 112688262) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-ethoxy-1-propoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-propoxy-N-propylbutan-2-amine
PubChem CID112688262
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-ethoxy-1-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)COCCC
InChIInChI=1S/C12H27NO2/c1-4-8-13-12(7-10-14-6-3)11-15-9-5-2/h12-13H,4-11H2,1-3H3
InChIKeyRUBTWTYFAKRQBW-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
1-ethoxy-N-propylbutan-2-amine
CID 62040391
(1-ethoxy-4-propoxybutan-2-yl)hydrazine
CID 105321228
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
CID 62605609
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-propoxy-N-propylbutan-2-amine?
The IUPAC name of 4-ethoxy-1-propoxy-N-propylbutan-2-amine (CID 112688262) is 4-ethoxy-1-propoxy-N-propylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-1-propoxy-N-propylbutan-2-amine?
The canonical SMILES for 4-ethoxy-1-propoxy-N-propylbutan-2-amine is CCCNC(CCOCC)COCCC.
What is the InChIKey of 4-ethoxy-1-propoxy-N-propylbutan-2-amine?
The InChIKey is RUBTWTYFAKRQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-8-13-12(7-10-14-6-3)11-15-9-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-ethoxy-1-propoxy-N-propylbutan-2-amine?
4-ethoxy-1-propoxy-N-propylbutan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-propoxy-N-propylbutan-2-amine is sourced from PubChem (CID 112688262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).