2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine

C13H21N3O2 — CID 63826021

IUPAC2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NCCOC2CCCC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-17-13-11(14)6-7-12(16-13)15-8-9-18-10-4-2-3-5-10/h6-7,10H,2-5,8-9,14H2,1H3,(H,15,16)
InChIKeyHCKWQVWGJIAWQE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds6

About 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine

2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine (PubChem CID 63826021) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
PubChem CID63826021
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NCCOC2CCCC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-17-13-11(14)6-7-12(16-13)15-8-9-18-10-4-2-3-5-10/h6-7,10H,2-5,8-9,14H2,1H3,(H,15,16)
InChIKeyHCKWQVWGJIAWQE-UHFFFAOYSA-N
XLogP2.04
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-2-methylamino-3-aminopyridine dihydrochloride
CID 5743759
1-(6-Methoxypyridin-2-yl)piperazine
CID 12200470
1-(6-Ethoxypyridin-2-yl)piperazine
CID 13795742
6-methoxy-2-N-methylpyridine-2,3-diamine
CID 5743760
Guanidine, N-cyano-N'-(2,6-dimethoxy-3-pyridinyl)-N''-(1,1-dimethylethyl)-
CID 3050757
1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
1-[6-(Propan-2-yloxy)pyridin-2-yl]piperazine
CID 13795743
N-[2-Methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enamide
CID 137931039
2-Methoxy-6-(morpholin-4-yl)pyridin-3-amine
CID 12152132
1-(6-Butoxypyridin-2-Yl)Piperazine
CID 28054514
N,N-dimethyl-2-[(6-piperazin-1-yl-2-pyridinyl)oxy]ethanamine
CID 13795747
N',N'-dimethyl-N-[6-(2-methylpropoxy)-2-pyridinyl]ethane-1,2-diamine
CID 13795751

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine (CID 63826021) is 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine is COc1nc(NCCOC2CCCC2)ccc1N.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine?
The InChIKey is HCKWQVWGJIAWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-13-11(14)6-7-12(16-13)15-8-9-18-10-4-2-3-5-10/h6-7,10H,2-5,8-9,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine?
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 63826021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).