2-[4-(ethylamino)butylamino]ethyl methyl carbonate

C10H22N2O3 — CID 59121659

IUPAC2-[4-(ethylamino)butylamino]ethyl methyl carbonate
SMILESCCNCCCCNCCOC(=O)OC
InChIInChI=1S/C10H22N2O3/c1-3-11-6-4-5-7-12-8-9-15-10(13)14-2/h11-12H,3-9H2,1-2H3
InChIKeyMCGROWVJPHASPT-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.75
Rot. Bonds9

About 2-[4-(ethylamino)butylamino]ethyl methyl carbonate

2-[4-(ethylamino)butylamino]ethyl methyl carbonate (PubChem CID 59121659) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-(ethylamino)butylamino]ethyl methyl carbonate.

Molecular Properties

Compound Name2-[4-(ethylamino)butylamino]ethyl methyl carbonate
PubChem CID59121659
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-[4-(ethylamino)butylamino]ethyl methyl carbonate
SMILESCCNCCCCNCCOC(=O)OC
InChIInChI=1S/C10H22N2O3/c1-3-11-6-4-5-7-12-8-9-15-10(13)14-2/h11-12H,3-9H2,1-2H3
InChIKeyMCGROWVJPHASPT-UHFFFAOYSA-N
XLogP0.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)ethyl hydrogen carbonate;hydrochloride
CID 143701623
3-(ethylamino)propyl acetate
CID 88999125
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
methane;methyl 2-(methylamino)ethyl carbonate
CID 160552254
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
diethyl 2-[4-(ethylamino)butyl]propanedioate
CID 118595670
2-(hexadecylamino)ethyl propanoate
CID 174467730
2-(ethylamino)ethyl tetradecanoate
CID 22321443
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
azane;methyl tetradecyl carbonate
CID 118914581

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)butylamino]ethyl methyl carbonate?
The IUPAC name of 2-[4-(ethylamino)butylamino]ethyl methyl carbonate (CID 59121659) is 2-[4-(ethylamino)butylamino]ethyl methyl carbonate.
What is the SMILES notation for 2-[4-(ethylamino)butylamino]ethyl methyl carbonate?
The canonical SMILES for 2-[4-(ethylamino)butylamino]ethyl methyl carbonate is CCNCCCCNCCOC(=O)OC.
What is the InChIKey of 2-[4-(ethylamino)butylamino]ethyl methyl carbonate?
The InChIKey is MCGROWVJPHASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-11-6-4-5-7-12-8-9-15-10(13)14-2/h11-12H,3-9H2,1-2H3.
What are the key properties of 2-[4-(ethylamino)butylamino]ethyl methyl carbonate?
2-[4-(ethylamino)butylamino]ethyl methyl carbonate has a molecular weight of 218.30 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)butylamino]ethyl methyl carbonate is sourced from PubChem (CID 59121659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).