N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine

C9H18ClNO — CID 66007358

IUPACN-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCC1CC(Cl)C1
InChIInChI=1S/C9H18ClNO/c1-2-12-4-3-11-7-8-5-9(10)6-8/h8-9,11H,2-7H2,1H3
InChIKeyVUZVWYMOVNYHGY-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.63
Rot. Bonds6

About N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine

N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine (PubChem CID 66007358) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine
PubChem CID66007358
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCC1CC(Cl)C1
InChIInChI=1S/C9H18ClNO/c1-2-12-4-3-11-7-8-5-9(10)6-8/h8-9,11H,2-7H2,1H3
InChIKeyVUZVWYMOVNYHGY-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.63
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine (CID 66007358) is N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine is CCOCCNCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine?
The InChIKey is VUZVWYMOVNYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-2-12-4-3-11-7-8-5-9(10)6-8/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine?
N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine has a molecular weight of 191.70 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 66007358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).