1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

C15H23Cl2N3O — CID 102760184

IUPAC1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCCNc1nc(N(C)CC2(O)CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-3-8-18-13-11(16)9-12(17)14(19-13)20(2)10-15(21)6-4-5-7-15/h9,21H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyOUZBMJSMFONODH-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.95
Rot. Bonds6

About 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 102760184) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID102760184
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCCNc1nc(N(C)CC2(O)CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-3-8-18-13-11(16)9-12(17)14(19-13)20(2)10-15(21)6-4-5-7-15/h9,21H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyOUZBMJSMFONODH-UHFFFAOYSA-N
XLogP3.95
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
CID 102757278
3,5-dichloro-6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102756059
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
3,5-dichloro-6-(2,2-dimethylpyrrolidin-1-yl)-N-propylpyridin-2-amine
CID 102758185

Frequently Asked Questions

What is the IUPAC name of 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (CID 102760184) is 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is CCCNc1nc(N(C)CC2(O)CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is OUZBMJSMFONODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O/c1-3-8-18-13-11(16)9-12(17)14(19-13)20(2)10-15(21)6-4-5-7-15/h9,21H,3-8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 332.28 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 102760184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).