N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine

C15H33NO4 — CID 104562069

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
SMILESCCCCOCCOCCOCCNC(C)COCC
InChIInChI=1S/C15H33NO4/c1-4-6-8-18-10-12-20-13-11-19-9-7-16-15(3)14-17-5-2/h15-16H,4-14H2,1-3H3
InChIKeyUQEFAFRZNOMALX-UHFFFAOYSA-N
MW291.43 g/mol
LogP1.85
Rot. Bonds16

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine (PubChem CID 104562069) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
PubChem CID104562069
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
SMILESCCCCOCCOCCOCCNC(C)COCC
InChIInChI=1S/C15H33NO4/c1-4-6-8-18-10-12-20-13-11-19-9-7-16-15(3)14-17-5-2/h15-16H,4-14H2,1-3H3
InChIKeyUQEFAFRZNOMALX-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine (CID 104562069) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine is CCCCOCCOCCOCCNC(C)COCC.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine?
The InChIKey is UQEFAFRZNOMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-4-6-8-18-10-12-20-13-11-19-9-7-16-15(3)14-17-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine has a molecular weight of 291.43 g/mol, XLogP of 1.85, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 104562069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).