4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine

C18H34N4O2 — CID 143533273

IUPAC4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
SMILESCCCCN(CCC)c1cc(N)nc(OCCCOCCNC)c1
InChIInChI=1S/C18H34N4O2/c1-4-6-10-22(9-5-2)16-14-17(19)21-18(15-16)24-12-7-11-23-13-8-20-3/h14-15,20H,4-13H2,1-3H3,(H2,19,21)
InChIKeyINIQLBSTDZLLQR-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.69
Rot. Bonds14

About 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine

4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine (PubChem CID 143533273) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
PubChem CID143533273
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
SMILESCCCCN(CCC)c1cc(N)nc(OCCCOCCNC)c1
InChIInChI=1S/C18H34N4O2/c1-4-6-10-22(9-5-2)16-14-17(19)21-18(15-16)24-12-7-11-23-13-8-20-3/h14-15,20H,4-13H2,1-3H3,(H2,19,21)
InChIKeyINIQLBSTDZLLQR-UHFFFAOYSA-N
XLogP2.69
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
CID 143847042
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
4-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]-N-cyclohexylbutanamide
CID 143340832
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine (CID 143533273) is 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine is CCCCN(CCC)c1cc(N)nc(OCCCOCCNC)c1.
What is the InChIKey of 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine?
The InChIKey is INIQLBSTDZLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-4-6-10-22(9-5-2)16-14-17(19)21-18(15-16)24-12-7-11-23-13-8-20-3/h14-15,20H,4-13H2,1-3H3,(H2,19,21).
What are the key properties of 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine?
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine has a molecular weight of 338.50 g/mol, XLogP of 2.69, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 143533273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).