N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine

C12H27NO2 — CID 62583063

IUPACN-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCOC(C)CC
InChIInChI=1S/C12H27NO2/c1-4-12(3)15-11-9-13-8-6-7-10-14-5-2/h12-13H,4-11H2,1-3H3
InChIKeySLXOAYYEMNLSTE-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds11

About N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine

N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine (PubChem CID 62583063) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
PubChem CID62583063
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCOC(C)CC
InChIInChI=1S/C12H27NO2/c1-4-12(3)15-11-9-13-8-6-7-10-14-5-2/h12-13H,4-11H2,1-3H3
InChIKeySLXOAYYEMNLSTE-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

N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 66276196
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66276197
4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
CID 103490793
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
7-ethoxy-N-propylheptan-1-amine
CID 163393813
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine?
The IUPAC name of N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine (CID 62583063) is N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine?
The canonical SMILES for N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine is CCOCCCCNCCOC(C)CC.
What is the InChIKey of N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine?
The InChIKey is SLXOAYYEMNLSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-12(3)15-11-9-13-8-6-7-10-14-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine?
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-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 N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine is sourced from PubChem (CID 62583063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).