ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine

C29H56N4O3 — CID 143341509

IUPACethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCC.CC.CC.CC.CCCOc1ccc(OCCOc2cc(N(CCC)CCC)cc(N)n2)nc1
InChIInChI=1S/C21H32N4O3.4C2H6/c1-4-9-25(10-5-2)17-14-19(22)24-21(15-17)28-13-12-27-20-8-7-18(16-23-20)26-11-6-3;4*1-2/h7-8,14-16H,4-6,9-13H2,1-3H3,(H2,22,24);4*1-2H3
InChIKeyGWKJGQZFIOMWQW-UHFFFAOYSA-N
MW508.79 g/mol
LogP8.04
Rot. Bonds13

About ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine

ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine (PubChem CID 143341509) has the molecular formula C29H56N4O3 and a molecular weight of 508.79 g/mol. Its IUPAC name is ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine.

Molecular Properties

Compound Nameethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
PubChem CID143341509
Molecular FormulaC29H56N4O3
Molecular Weight508.79 g/mol
Exact Mass508.44
IUPAC Nameethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCC.CC.CC.CC.CCCOc1ccc(OCCOc2cc(N(CCC)CCC)cc(N)n2)nc1
InChIInChI=1S/C21H32N4O3.4C2H6/c1-4-9-25(10-5-2)17-14-19(22)24-21(15-17)28-13-12-27-20-8-7-18(16-23-20)26-11-6-3;4*1-2/h7-8,14-16H,4-6,9-13H2,1-3H3,(H2,22,24);4*1-2H3
InChIKeyGWKJGQZFIOMWQW-UHFFFAOYSA-N
XLogP8.04
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
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-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143341441
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 143341161
2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
CID 143847042

Frequently Asked Questions

What is the IUPAC name of ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The IUPAC name of ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine (CID 143341509) is ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine.
What is the SMILES notation for ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The canonical SMILES for ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine is CC.CC.CC.CC.CCCOc1ccc(OCCOc2cc(N(CCC)CCC)cc(N)n2)nc1.
What is the InChIKey of ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The InChIKey is GWKJGQZFIOMWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3.4C2H6/c1-4-9-25(10-5-2)17-14-19(22)24-21(15-17)28-13-12-27-20-8-7-18(16-23-20)26-11-6-3;4*1-2/h7-8,14-16H,4-6,9-13H2,1-3H3,(H2,22,24);4*1-2H3.
What are the key properties of ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine has a molecular weight of 508.79 g/mol, XLogP of 8.04, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine is sourced from PubChem (CID 143341509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).