1-(ethylamino)ethyl acetate;hydrochloride

C6H14ClNO2 — CID 174667406

IUPAC1-(ethylamino)ethyl acetate;hydrochloride
SMILESCCNC(C)OC(C)=O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-7-5(2)9-6(3)8;/h5,7H,4H2,1-3H3;1H
InChIKeyVJDKUEWJQHQVHP-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.93
Rot. Bonds3

About 1-(ethylamino)ethyl acetate;hydrochloride

1-(ethylamino)ethyl acetate;hydrochloride (PubChem CID 174667406) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(ethylamino)ethyl acetate;hydrochloride.

Molecular Properties

Compound Name1-(ethylamino)ethyl acetate;hydrochloride
PubChem CID174667406
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name1-(ethylamino)ethyl acetate;hydrochloride
SMILESCCNC(C)OC(C)=O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-7-5(2)9-6(3)8;/h5,7H,4H2,1-3H3;1H
InChIKeyVJDKUEWJQHQVHP-UHFFFAOYSA-N
XLogP0.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
ethane;3-(ethylamino)butan-2-one
CID 145148121
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
propane;propan-2-yl acetate
CID 23325886
(1-hydroxy-3-methylbutan-2-yl) acetate
CID 154094569
propan-2-yl acetate;hydrochloride
CID 87336432
acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
CID 174870580
2-(ethylamino)butyl acetate
CID 171564336
[(2R,3R)-2-bromopentan-3-yl] acetate
CID 139645708
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388
butan-2-yl acetate;2-methylpropan-1-ol
CID 158287045
(313C)heptan-4-yl acetate
CID 117065532

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)ethyl acetate;hydrochloride?
The IUPAC name of 1-(ethylamino)ethyl acetate;hydrochloride (CID 174667406) is 1-(ethylamino)ethyl acetate;hydrochloride.
What is the SMILES notation for 1-(ethylamino)ethyl acetate;hydrochloride?
The canonical SMILES for 1-(ethylamino)ethyl acetate;hydrochloride is CCNC(C)OC(C)=O.Cl.
What is the InChIKey of 1-(ethylamino)ethyl acetate;hydrochloride?
The InChIKey is VJDKUEWJQHQVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-7-5(2)9-6(3)8;/h5,7H,4H2,1-3H3;1H.
What are the key properties of 1-(ethylamino)ethyl acetate;hydrochloride?
1-(ethylamino)ethyl acetate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)ethyl acetate;hydrochloride is sourced from PubChem (CID 174667406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).