6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane

C21H40N4O — CID 143846965

IUPAC6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCNC2CCCCC2)c1
InChIInChI=1S/C19H34N4O.C2H6/c1-3-11-23(12-4-2)17-14-18(20)22-19(15-17)24-13-10-21-16-8-6-5-7-9-16;1-2/h14-16,21H,3-13H2,1-2H3,(H2,20,22);1-2H3
InChIKeyJNDLZQITINTTGS-UHFFFAOYSA-N
MW364.58 g/mol
LogP4.62
Rot. Bonds10

About 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane

6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane (PubChem CID 143846965) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane.

Molecular Properties

Compound Name6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
PubChem CID143846965
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC Name6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCNC2CCCCC2)c1
InChIInChI=1S/C19H34N4O.C2H6/c1-3-11-23(12-4-2)17-14-18(20)22-19(15-17)24-13-10-21-16-8-6-5-7-9-16;1-2/h14-16,21H,3-13H2,1-2H3,(H2,20,22);1-2H3
InChIKeyJNDLZQITINTTGS-UHFFFAOYSA-N
XLogP4.62
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 54.62
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

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
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
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
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
CID 143847042
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane?
The IUPAC name of 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane (CID 143846965) is 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane.
What is the SMILES notation for 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane?
The canonical SMILES for 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane is CC.CCCN(CCC)c1cc(N)nc(OCCNC2CCCCC2)c1.
What is the InChIKey of 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane?
The InChIKey is JNDLZQITINTTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O.C2H6/c1-3-11-23(12-4-2)17-14-18(20)22-19(15-17)24-13-10-21-16-8-6-5-7-9-16;1-2/h14-16,21H,3-13H2,1-2H3,(H2,20,22);1-2H3.
What are the key properties of 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane?
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane has a molecular weight of 364.58 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane is sourced from PubChem (CID 143846965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).