3-ethoxypentan-3-amine

C7H17NO — CID 87385378

IUPAC3-ethoxypentan-3-amine
SMILESCCOC(N)(CC)CC
InChIInChI=1S/C7H17NO/c1-4-7(8,5-2)9-6-3/h4-6,8H2,1-3H3
InChIKeyWFXJGIMYRMNOHA-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.50
Rot. Bonds4

About 3-ethoxypentan-3-amine

3-ethoxypentan-3-amine (PubChem CID 87385378) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-ethoxypentan-3-amine.

Molecular Properties

Compound Name3-ethoxypentan-3-amine
PubChem CID87385378
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-ethoxypentan-3-amine
SMILESCCOC(N)(CC)CC
InChIInChI=1S/C7H17NO/c1-4-7(8,5-2)9-6-3/h4-6,8H2,1-3H3
InChIKeyWFXJGIMYRMNOHA-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxypropan-1-amine
CID 22735038
1-(1,1-diethoxypropyldisulfanyl)-1,1-diethoxypropane
CID 23462762
1,1-diethoxy-2,2-dimethylpropan-1-amine
CID 174896219
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
3-(methylaminooxy)pentan-3-amine
CID 163637142
2-ethoxy-2-ethylbutan-1-amine
CID 65051068
3-ethoxy-3-ethylpentan-2-amine
CID 116759599
2-(2-ethoxy-2-methylpropoxy)-2-methylbutane
CID 91499831
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
acetic acid;triethoxymethanamine
CID 175078602

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypentan-3-amine?
The IUPAC name of 3-ethoxypentan-3-amine (CID 87385378) is 3-ethoxypentan-3-amine.
What is the SMILES notation for 3-ethoxypentan-3-amine?
The canonical SMILES for 3-ethoxypentan-3-amine is CCOC(N)(CC)CC.
What is the InChIKey of 3-ethoxypentan-3-amine?
The InChIKey is WFXJGIMYRMNOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(8,5-2)9-6-3/h4-6,8H2,1-3H3.
What are the key properties of 3-ethoxypentan-3-amine?
3-ethoxypentan-3-amine has a molecular weight of 131.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypentan-3-amine is sourced from PubChem (CID 87385378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).