N-(2-chloroethoxy)ethenamine

C4H8ClNO — CID 57299495

IUPACN-(2-chloroethoxy)ethenamine
SMILESC=CNOCCCl
InChIInChI=1S/C4H8ClNO/c1-2-6-7-4-3-5/h2,6H,1,3-4H2
InChIKeyQAEWZCDATZJPPA-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.89
Rot. Bonds4

About N-(2-chloroethoxy)ethenamine

N-(2-chloroethoxy)ethenamine (PubChem CID 57299495) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is N-(2-chloroethoxy)ethenamine.

Molecular Properties

Compound NameN-(2-chloroethoxy)ethenamine
PubChem CID57299495
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC NameN-(2-chloroethoxy)ethenamine
SMILESC=CNOCCCl
InChIInChI=1S/C4H8ClNO/c1-2-6-7-4-3-5/h2,6H,1,3-4H2
InChIKeyQAEWZCDATZJPPA-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-ynoxyethenamine
CID 57130540
N-(2-methylpropoxy)ethenamine
CID 57072177
1-chloro-2-[2-(2-chloroethoxy)ethenoxy]ethane
CID 150577918
N-hydroperoxyethenamine
CID 153343312
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
N-(2-ethenoxyethoxy)methanamine
CID 59596547
1-(2-chloroethoxy)-2-ethenylsulfanylethane
CID 55298542
2-chloroethyl phosphite;prop-1-ene
CID 21416526
2-chloroethoxymethylsilane
CID 71349699
4-chloro-N-prop-2-enylbutan-2-amine
CID 83180001
4,6-dichlorohex-1-en-3-yloxysilane
CID 173007019

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethoxy)ethenamine?
The IUPAC name of N-(2-chloroethoxy)ethenamine (CID 57299495) is N-(2-chloroethoxy)ethenamine.
What is the SMILES notation for N-(2-chloroethoxy)ethenamine?
The canonical SMILES for N-(2-chloroethoxy)ethenamine is C=CNOCCCl.
What is the InChIKey of N-(2-chloroethoxy)ethenamine?
The InChIKey is QAEWZCDATZJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO/c1-2-6-7-4-3-5/h2,6H,1,3-4H2.
What are the key properties of N-(2-chloroethoxy)ethenamine?
N-(2-chloroethoxy)ethenamine has a molecular weight of 121.57 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethoxy)ethenamine is sourced from PubChem (CID 57299495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).