1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol

C14H20Cl2N2O — CID 114952614

IUPAC1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(Cl)c(CN(C)CC2(O)CCCC2)c(Cl)n1
InChIInChI=1S/C14H20Cl2N2O/c1-10-7-12(15)11(13(16)17-10)8-18(2)9-14(19)5-3-4-6-14/h7,19H,3-6,8-9H2,1-2H3
InChIKeySJJQAYXCDALPJD-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.43
Rot. Bonds4

About 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol

1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114952614) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114952614
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(Cl)c(CN(C)CC2(O)CCCC2)c(Cl)n1
InChIInChI=1S/C14H20Cl2N2O/c1-10-7-12(15)11(13(16)17-10)8-18(2)9-14(19)5-3-4-6-14/h7,19H,3-6,8-9H2,1-2H3
InChIKeySJJQAYXCDALPJD-UHFFFAOYSA-N
XLogP3.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 71854314
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948799
1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947854
1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 102760184
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 115536709
ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 62027787
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705554

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 114952614) is 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol is Cc1cc(Cl)c(CN(C)CC2(O)CCCC2)c(Cl)n1.
What is the InChIKey of 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is SJJQAYXCDALPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10-7-12(15)11(13(16)17-10)8-18(2)9-14(19)5-3-4-6-14/h7,19H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol?
1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 303.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).