5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine

C11H17ClN2O — CID 63008775

IUPAC5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1ccc(CCl)cn1
InChIInChI=1S/C11H17ClN2O/c1-14(6-3-7-15-2)11-5-4-10(8-12)9-13-11/h4-5,9H,3,6-8H2,1-2H3
InChIKeyDLDSXULDTIMVPL-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.29
Rot. Bonds6

About 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine

5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 63008775) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID63008775
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1ccc(CCl)cn1
InChIInChI=1S/C11H17ClN2O/c1-14(6-3-7-15-2)11-5-4-10(8-12)9-13-11/h4-5,9H,3,6-8H2,1-2H3
InChIKeyDLDSXULDTIMVPL-UHFFFAOYSA-N
XLogP2.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine (CID 63008775) is 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine is COCCCN(C)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is DLDSXULDTIMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(6-3-7-15-2)11-5-4-10(8-12)9-13-11/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 228.72 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63008775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).