3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine

C13H29NO2 — CID 115002778

IUPAC3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
SMILESCCCCOCCOC(C)CCNC(C)C
InChIInChI=1S/C13H29NO2/c1-5-6-9-15-10-11-16-13(4)7-8-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyDBXFQQOAEDYJOY-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds11

About 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine

3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 115002778) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
PubChem CID115002778
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
SMILESCCCCOCCOC(C)CCNC(C)C
InChIInChI=1S/C13H29NO2/c1-5-6-9-15-10-11-16-13(4)7-8-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyDBXFQQOAEDYJOY-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.60
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-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
N-[2-(2-butoxyethoxy)propyl]pentan-2-amine
CID 62598678
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 102986841
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
N-(2-decoxyethyl)propan-2-amine
CID 63399572
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one
CID 163640751
3-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 115000912

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine (CID 115002778) is 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine is CCCCOCCOC(C)CCNC(C)C.
What is the InChIKey of 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is DBXFQQOAEDYJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-6-9-15-10-11-16-13(4)7-8-14-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine?
3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115002778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).