1-butoxy-N-(1-butoxyethyl)ethanamine

C12H27NO2 — CID 19992489

IUPAC1-butoxy-N-(1-butoxyethyl)ethanamine
SMILESCCCCOC(C)NC(C)OCCCC
InChIInChI=1S/C12H27NO2/c1-5-7-9-14-11(3)13-12(4)15-10-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeySZRGMRBADJVCKN-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.90
Rot. Bonds10

About 1-butoxy-N-(1-butoxyethyl)ethanamine

1-butoxy-N-(1-butoxyethyl)ethanamine (PubChem CID 19992489) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-butoxy-N-(1-butoxyethyl)ethanamine.

Molecular Properties

Compound Name1-butoxy-N-(1-butoxyethyl)ethanamine
PubChem CID19992489
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-butoxy-N-(1-butoxyethyl)ethanamine
SMILESCCCCOC(C)NC(C)OCCCC
InChIInChI=1S/C12H27NO2/c1-5-7-9-14-11(3)13-12(4)15-10-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeySZRGMRBADJVCKN-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N-(1-butoxyethyl)ethanamine?
The IUPAC name of 1-butoxy-N-(1-butoxyethyl)ethanamine (CID 19992489) is 1-butoxy-N-(1-butoxyethyl)ethanamine.
What is the SMILES notation for 1-butoxy-N-(1-butoxyethyl)ethanamine?
The canonical SMILES for 1-butoxy-N-(1-butoxyethyl)ethanamine is CCCCOC(C)NC(C)OCCCC.
What is the InChIKey of 1-butoxy-N-(1-butoxyethyl)ethanamine?
The InChIKey is SZRGMRBADJVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-7-9-14-11(3)13-12(4)15-10-8-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-butoxy-N-(1-butoxyethyl)ethanamine?
1-butoxy-N-(1-butoxyethyl)ethanamine has a molecular weight of 217.35 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-N-(1-butoxyethyl)ethanamine is sourced from PubChem (CID 19992489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).