3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine

C13H18Cl3N3 — CID 102752109

IUPAC3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3N3/c1-18(2)13(5-4-6-13)8-19(3)12-10(15)7-9(14)11(16)17-12/h7H,4-6,8H2,1-3H3
InChIKeyLKUUDSPNOGEDOU-UHFFFAOYSA-N
MW322.67 g/mol
LogP3.96
Rot. Bonds4

About 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine

3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine (PubChem CID 102752109) has the molecular formula C13H18Cl3N3 and a molecular weight of 322.67 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
PubChem CID102752109
Molecular FormulaC13H18Cl3N3
Molecular Weight322.67 g/mol
Exact Mass321.06
IUPAC Name3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3N3/c1-18(2)13(5-4-6-13)8-19(3)12-10(15)7-9(14)11(16)17-12/h7H,4-6,8H2,1-3H3
InChIKeyLKUUDSPNOGEDOU-UHFFFAOYSA-N
XLogP3.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine
CID 105419883
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 105415306
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
CID 105419869
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 102751324
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 105414160
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
CID 105419888
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 105420240
3-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 105415944
3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 102750408

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine (CID 102752109) is 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine is CN(CC1(N(C)C)CCC1)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
The InChIKey is LKUUDSPNOGEDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3N3/c1-18(2)13(5-4-6-13)8-19(3)12-10(15)7-9(14)11(16)17-12/h7H,4-6,8H2,1-3H3.
What are the key properties of 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine has a molecular weight of 322.67 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 102752109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).