5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine

C9H20ClNO — CID 61427614

IUPAC5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine
SMILESCOCCN(C)CCCCCCl
InChIInChI=1S/C9H20ClNO/c1-11(8-9-12-2)7-5-3-4-6-10/h3-9H2,1-2H3
InChIKeyUMOXZOCHKCOXAW-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.97
Rot. Bonds8

About 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine

5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine (PubChem CID 61427614) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine
PubChem CID61427614
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine
SMILESCOCCN(C)CCCCCCl
InChIInChI=1S/C9H20ClNO/c1-11(8-9-12-2)7-5-3-4-6-10/h3-9H2,1-2H3
InChIKeyUMOXZOCHKCOXAW-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.97
H-Bond Donors ≤ 50
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 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine (CID 61427614) is 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine is COCCN(C)CCCCCCl.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine?
The InChIKey is UMOXZOCHKCOXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-11(8-9-12-2)7-5-3-4-6-10/h3-9H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine?
5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine has a molecular weight of 193.72 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-methylpentan-1-amine is sourced from PubChem (CID 61427614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).