3-(2-butan-2-yloxyethoxy)propan-1-amine

C9H21NO2 — CID 88947745

IUPAC3-(2-butan-2-yloxyethoxy)propan-1-amine
SMILESCCC(C)OCCOCCCN
InChIInChI=1S/C9H21NO2/c1-3-9(2)12-8-7-11-6-4-5-10/h9H,3-8,10H2,1-2H3
InChIKeyODRVWVAQVNGWNZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds8

About 3-(2-butan-2-yloxyethoxy)propan-1-amine

3-(2-butan-2-yloxyethoxy)propan-1-amine (PubChem CID 88947745) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(2-butan-2-yloxyethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-butan-2-yloxyethoxy)propan-1-amine
PubChem CID88947745
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(2-butan-2-yloxyethoxy)propan-1-amine
SMILESCCC(C)OCCOCCCN
InChIInChI=1S/C9H21NO2/c1-3-9(2)12-8-7-11-6-4-5-10/h9H,3-8,10H2,1-2H3
InChIKeyODRVWVAQVNGWNZ-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
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-butan-2-yloxypropan-1-amine
CID 54795719
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
1-[4-(3-aminopropoxy)butoxy]propan-1-amine
CID 22758954
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
2-(2-propoxyethoxy)propan-1-amine
CID 63686172
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
CID 57073090
2-[2-(3-methoxypropoxy)ethoxy]propan-1-amine
CID 103175854

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-yloxyethoxy)propan-1-amine?
The IUPAC name of 3-(2-butan-2-yloxyethoxy)propan-1-amine (CID 88947745) is 3-(2-butan-2-yloxyethoxy)propan-1-amine.
What is the SMILES notation for 3-(2-butan-2-yloxyethoxy)propan-1-amine?
The canonical SMILES for 3-(2-butan-2-yloxyethoxy)propan-1-amine is CCC(C)OCCOCCCN.
What is the InChIKey of 3-(2-butan-2-yloxyethoxy)propan-1-amine?
The InChIKey is ODRVWVAQVNGWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-9(2)12-8-7-11-6-4-5-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-(2-butan-2-yloxyethoxy)propan-1-amine?
3-(2-butan-2-yloxyethoxy)propan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-yloxyethoxy)propan-1-amine is sourced from PubChem (CID 88947745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).