2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol

C14H31NO4 — CID 159037727

IUPAC2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol
SMILESCCCCOCCC(O)(COCCCC)OCCN
InChIInChI=1S/C14H31NO4/c1-3-5-9-17-11-7-14(16,19-12-8-15)13-18-10-6-4-2/h16H,3-13,15H2,1-2H3
InChIKeyJVQWQDWBRLRWSO-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.67
Rot. Bonds14

About 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol

2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol (PubChem CID 159037727) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol
PubChem CID159037727
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Name2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol
SMILESCCCCOCCC(O)(COCCCC)OCCN
InChIInChI=1S/C14H31NO4/c1-3-5-9-17-11-7-14(16,19-12-8-15)13-18-10-6-4-2/h16H,3-13,15H2,1-2H3
InChIKeyJVQWQDWBRLRWSO-UHFFFAOYSA-N
XLogP1.67
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
1,1,2-tributoxyethanol
CID 3022905
3-[2-(3-aminopropoxymethyl)-2-(butoxymethyl)butoxy]propan-1-amine
CID 170363790
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
2-(3-aminopropoxymethyl)-2-butylpropane-1,3-diol
CID 135255825
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol?
The IUPAC name of 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol (CID 159037727) is 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol.
What is the SMILES notation for 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol?
The canonical SMILES for 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol is CCCCOCCC(O)(COCCCC)OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol?
The InChIKey is JVQWQDWBRLRWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-3-5-9-17-11-7-14(16,19-12-8-15)13-18-10-6-4-2/h16H,3-13,15H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol?
2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol has a molecular weight of 277.40 g/mol, XLogP of 1.67, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1,4-dibutoxybutan-2-ol is sourced from PubChem (CID 159037727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).