ethyl formate;1-methylcyclobutan-1-amine

C8H17NO2 — CID 174536210

IUPACethyl formate;1-methylcyclobutan-1-amine
SMILESCC1(N)CCC1.CCOC=O
InChIInChI=1S/C5H11N.C3H6O2/c1-5(6)3-2-4-5;1-2-5-3-4/h2-4,6H2,1H3;3H,2H2,1H3
InChIKeyDDHGGVPQNFRYNA-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds2

About ethyl formate;1-methylcyclobutan-1-amine

ethyl formate;1-methylcyclobutan-1-amine (PubChem CID 174536210) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl formate;1-methylcyclobutan-1-amine.

Molecular Properties

Compound Nameethyl formate;1-methylcyclobutan-1-amine
PubChem CID174536210
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl formate;1-methylcyclobutan-1-amine
SMILESCC1(N)CCC1.CCOC=O
InChIInChI=1S/C5H11N.C3H6O2/c1-5(6)3-2-4-5;1-2-5-3-4/h2-4,6H2,1H3;3H,2H2,1H3
InChIKeyDDHGGVPQNFRYNA-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;ethyl formate;hydroxide
CID 174914217
ethyl formate;methanol
CID 87496134
calcium;ethyl formate;dichloride
CID 174827324
cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
cyclopropanamine;ethyl formate;hydrochloride
CID 172851986
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
2-azaspiro[4.5]decane;ethyl formate
CID 144702388
ethyl formate;(4-methylpiperidin-4-yl)methanol
CID 160700182
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
ethyl formate;propa-1,2-diene
CID 174771655
ethyl formate;trifluoroborane
CID 88614500
cyclopropanol;ethyl formate
CID 157277391

Frequently Asked Questions

What is the IUPAC name of ethyl formate;1-methylcyclobutan-1-amine?
The IUPAC name of ethyl formate;1-methylcyclobutan-1-amine (CID 174536210) is ethyl formate;1-methylcyclobutan-1-amine.
What is the SMILES notation for ethyl formate;1-methylcyclobutan-1-amine?
The canonical SMILES for ethyl formate;1-methylcyclobutan-1-amine is CC1(N)CCC1.CCOC=O.
What is the InChIKey of ethyl formate;1-methylcyclobutan-1-amine?
The InChIKey is DDHGGVPQNFRYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O2/c1-5(6)3-2-4-5;1-2-5-3-4/h2-4,6H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;1-methylcyclobutan-1-amine?
ethyl formate;1-methylcyclobutan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;1-methylcyclobutan-1-amine is sourced from PubChem (CID 174536210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).