cyclopropanamine;ethyl formate;hydrochloride

C6H14ClNO2 — CID 172851986

IUPACcyclopropanamine;ethyl formate;hydrochloride
SMILESCCOC=O.Cl.NC1CC1
InChIInChI=1S/C3H7N.C3H6O2.ClH/c4-3-1-2-3;1-2-5-3-4;/h3H,1-2,4H2;3H,2H2,1H3;1H
InChIKeyYERNPKXKUNFHBD-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds2

About cyclopropanamine;ethyl formate;hydrochloride

cyclopropanamine;ethyl formate;hydrochloride (PubChem CID 172851986) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is cyclopropanamine;ethyl formate;hydrochloride.

Molecular Properties

Compound Namecyclopropanamine;ethyl formate;hydrochloride
PubChem CID172851986
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namecyclopropanamine;ethyl formate;hydrochloride
SMILESCCOC=O.Cl.NC1CC1
InChIInChI=1S/C3H7N.C3H6O2.ClH/c4-3-1-2-3;1-2-5-3-4;/h3H,1-2,4H2;3H,2H2,1H3;1H
InChIKeyYERNPKXKUNFHBD-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.71
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

cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
cyclopropanol;ethyl formate
CID 157277391
ethyl formate;7-oxabicyclo[2.2.1]heptane
CID 143754176
ethyl formate;methanol
CID 87496134
calcium;ethyl formate;dichloride
CID 174827324
cyclohexanecarbaldehyde;ethyl formate
CID 175526920
1-cyclobutylpropan-2-one;ethyl formate
CID 174968051
3-ethylcyclopentan-1-ol;ethyl formate
CID 157424984
ethyl formate;1-methylcyclobutan-1-amine
CID 174536210
ethyl formate;propa-1,2-diene
CID 174771655
ethyl formate;trifluoroborane
CID 88614500

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;ethyl formate;hydrochloride?
The IUPAC name of cyclopropanamine;ethyl formate;hydrochloride (CID 172851986) is cyclopropanamine;ethyl formate;hydrochloride.
What is the SMILES notation for cyclopropanamine;ethyl formate;hydrochloride?
The canonical SMILES for cyclopropanamine;ethyl formate;hydrochloride is CCOC=O.Cl.NC1CC1.
What is the InChIKey of cyclopropanamine;ethyl formate;hydrochloride?
The InChIKey is YERNPKXKUNFHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C3H6O2.ClH/c4-3-1-2-3;1-2-5-3-4;/h3H,1-2,4H2;3H,2H2,1H3;1H.
What are the key properties of cyclopropanamine;ethyl formate;hydrochloride?
cyclopropanamine;ethyl formate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;ethyl formate;hydrochloride is sourced from PubChem (CID 172851986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).