1,3-diethoxybutan-2-amine

C8H19NO2 — CID 79574517

IUPAC1,3-diethoxybutan-2-amine
SMILESCCOCC(N)C(C)OCC
InChIInChI=1S/C8H19NO2/c1-4-10-6-8(9)7(3)11-5-2/h7-8H,4-6,9H2,1-3H3
InChIKeyDUVIKUHGPQPUCB-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.78
Rot. Bonds6

About 1,3-diethoxybutan-2-amine

1,3-diethoxybutan-2-amine (PubChem CID 79574517) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1,3-diethoxybutan-2-amine.

Molecular Properties

Compound Name1,3-diethoxybutan-2-amine
PubChem CID79574517
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1,3-diethoxybutan-2-amine
SMILESCCOCC(N)C(C)OCC
InChIInChI=1S/C8H19NO2/c1-4-10-6-8(9)7(3)11-5-2/h7-8H,4-6,9H2,1-3H3
InChIKeyDUVIKUHGPQPUCB-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-methylhexan-2-amine
CID 105007979
2-ethoxyhex-5-yn-3-amine
CID 64539239
(2S)-3-ethoxybutan-2-amine
CID 64712582
(2R)-1,2-diethoxypropane
CID 92973991
1,3-diethoxybutan-2-yl(trimethyl)silane
CID 173485775
1-ethoxypentan-2-amine
CID 62042543
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
1-ethoxy-6-methylheptan-2-amine
CID 83162335
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172
3-ethoxy-2-methylpropan-1-amine
CID 43175050
diethoxymethanamine;hydrochloride
CID 175125355
1,1-diethoxy-6-methylheptan-2-amine
CID 83160850

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxybutan-2-amine?
The IUPAC name of 1,3-diethoxybutan-2-amine (CID 79574517) is 1,3-diethoxybutan-2-amine.
What is the SMILES notation for 1,3-diethoxybutan-2-amine?
The canonical SMILES for 1,3-diethoxybutan-2-amine is CCOCC(N)C(C)OCC.
What is the InChIKey of 1,3-diethoxybutan-2-amine?
The InChIKey is DUVIKUHGPQPUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-10-6-8(9)7(3)11-5-2/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1,3-diethoxybutan-2-amine?
1,3-diethoxybutan-2-amine has a molecular weight of 161.24 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxybutan-2-amine is sourced from PubChem (CID 79574517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).