5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine

C12H20ClN3O — CID 63008843

IUPAC5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1nc(N(C)CCCOC)ccc1Cl
InChIInChI=1S/C12H20ClN3O/c1-14-9-11-10(13)5-6-12(15-11)16(2)7-4-8-17-3/h5-6,14H,4,7-9H2,1-3H3
InChIKeyILEMRHRKDJVAQC-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.93
Rot. Bonds7

About 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine

5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine (PubChem CID 63008843) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine
PubChem CID63008843
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1nc(N(C)CCCOC)ccc1Cl
InChIInChI=1S/C12H20ClN3O/c1-14-9-11-10(13)5-6-12(15-11)16(2)7-4-8-17-3/h5-6,14H,4,7-9H2,1-3H3
InChIKeyILEMRHRKDJVAQC-UHFFFAOYSA-N
XLogP1.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine (CID 63008843) is 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine is CNCc1nc(N(C)CCCOC)ccc1Cl.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The InChIKey is ILEMRHRKDJVAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-14-9-11-10(13)5-6-12(15-11)16(2)7-4-8-17-3/h5-6,14H,4,7-9H2,1-3H3.
What are the key properties of 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine has a molecular weight of 257.76 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63008843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).