5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine

C12H21N3O — CID 104533066

IUPAC5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCCOCC)c1
InChIInChI=1S/C12H21N3O/c1-3-5-14-11-8-12(10-13-9-11)15-6-7-16-4-2/h8-10,14-15H,3-7H2,1-2H3
InChIKeyGDTZWQDYOFMCTQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds8

About 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine

5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533066) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533066
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCCOCC)c1
InChIInChI=1S/C12H21N3O/c1-3-5-14-11-8-12(10-13-9-11)15-6-7-16-4-2/h8-10,14-15H,3-7H2,1-2H3
InChIKeyGDTZWQDYOFMCTQ-UHFFFAOYSA-N
XLogP2.35
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
5-butoxy-N-propylpyridin-3-amine
CID 104536219
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-[2-(2-methoxyethoxy)ethoxy]-N-propylpyridin-3-amine
CID 104568332
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
4-(2-ethoxyethylamino)-1H-pyridazin-6-one
CID 114391849
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine (CID 104533066) is 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NCCOCC)c1.
What is the InChIKey of 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is GDTZWQDYOFMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-14-11-8-12(10-13-9-11)15-6-7-16-4-2/h8-10,14-15H,3-7H2,1-2H3.
What are the key properties of 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine?
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).