3-(2-butoxyethoxy)butan-2-amine

C10H23NO2 — CID 61351775

IUPAC3-(2-butoxyethoxy)butan-2-amine
SMILESCCCCOCCOC(C)C(C)N
InChIInChI=1S/C10H23NO2/c1-4-5-6-12-7-8-13-10(3)9(2)11/h9-10H,4-8,11H2,1-3H3
InChIKeyYTOIYZJBTIRDEV-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.56
Rot. Bonds8

About 3-(2-butoxyethoxy)butan-2-amine

3-(2-butoxyethoxy)butan-2-amine (PubChem CID 61351775) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)butan-2-amine
PubChem CID61351775
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(2-butoxyethoxy)butan-2-amine
SMILESCCCCOCCOC(C)C(C)N
InChIInChI=1S/C10H23NO2/c1-4-5-6-12-7-8-13-10(3)9(2)11/h9-10H,4-8,11H2,1-3H3
InChIKeyYTOIYZJBTIRDEV-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.56
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

3-pentoxybutan-2-amine
CID 61352378
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
CID 104560997
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
CID 104564633
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)butan-2-amine?
The IUPAC name of 3-(2-butoxyethoxy)butan-2-amine (CID 61351775) is 3-(2-butoxyethoxy)butan-2-amine.
What is the SMILES notation for 3-(2-butoxyethoxy)butan-2-amine?
The canonical SMILES for 3-(2-butoxyethoxy)butan-2-amine is CCCCOCCOC(C)C(C)N.
What is the InChIKey of 3-(2-butoxyethoxy)butan-2-amine?
The InChIKey is YTOIYZJBTIRDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-5-6-12-7-8-13-10(3)9(2)11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-(2-butoxyethoxy)butan-2-amine?
3-(2-butoxyethoxy)butan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)butan-2-amine is sourced from PubChem (CID 61351775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).