1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

C12H16Cl2N2 — CID 116518954

IUPAC1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(Cl)cc1Cl)CC1CCC1
InChIInChI=1S/C12H16Cl2N2/c1-16(7-9-3-2-4-9)8-10-6-15-12(14)5-11(10)13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUKPKCQUCYBTBPM-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 116518954) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
PubChem CID116518954
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(Cl)cc1Cl)CC1CCC1
InChIInChI=1S/C12H16Cl2N2/c1-16(7-9-3-2-4-9)8-10-6-15-12(14)5-11(10)13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUKPKCQUCYBTBPM-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (CID 116518954) is 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cnc(Cl)cc1Cl)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is UKPKCQUCYBTBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-16(7-9-3-2-4-9)8-10-6-15-12(14)5-11(10)13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 259.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 116518954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).