4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

C27H45N5O — CID 143340651

IUPAC4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCN2CCCC2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C17H30N4O.C8H9N.C2H6/c1-3-7-21(8-4-2)15-13-16(18)19-17(14-15)22-12-11-20-9-5-6-10-20;1-7-3-2-4-8(5-7)6-9;1-2/h13-14H,3-12H2,1-2H3,(H2,18,19);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyWGAPJPQHPVZCJH-YJXWIHHLSA-N
MW455.69 g/mol
LogP5.78
Rot. Bonds10

About 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine

4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (PubChem CID 143340651) has the molecular formula C27H45N5O and a molecular weight of 455.69 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.

Molecular Properties

Compound Name4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
PubChem CID143340651
Molecular FormulaC27H45N5O
Molecular Weight455.69 g/mol
Exact Mass455.36
IUPAC Name4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
SMILESCC.CCCN(CCC)c1cc(N)nc(OCCN2CCCC2)c1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C17H30N4O.C8H9N.C2H6/c1-3-7-21(8-4-2)15-13-16(18)19-17(14-15)22-12-11-20-9-5-6-10-20;1-7-3-2-4-8(5-7)6-9;1-2/h13-14H,3-12H2,1-2H3,(H2,18,19);2-6,9H,1H3;1-2H3/b;9-6+;
InChIKeyWGAPJPQHPVZCJH-YJXWIHHLSA-N
XLogP5.78
TPSA78.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
4-N,4-N-dipropyl-6-[2-(1,3-thiazol-2-yl)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340727
4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143450334
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
CID 143846877
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450305
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
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The IUPAC name of 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine (CID 143340651) is 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine.
What is the SMILES notation for 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The canonical SMILES for 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is CC.CCCN(CCC)c1cc(N)nc(OCCN2CCCC2)c1.[H]/N=C/c1cccc(C)c1.
What is the InChIKey of 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
The InChIKey is WGAPJPQHPVZCJH-YJXWIHHLSA-N. The full InChI is InChI=1S/C17H30N4O.C8H9N.C2H6/c1-3-7-21(8-4-2)15-13-16(18)19-17(14-15)22-12-11-20-9-5-6-10-20;1-7-3-2-4-8(5-7)6-9;1-2/h13-14H,3-12H2,1-2H3,(H2,18,19);2-6,9H,1H3;1-2H3/b;9-6+;.
What are the key properties of 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine?
4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine has a molecular weight of 455.69 g/mol, XLogP of 5.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine is sourced from PubChem (CID 143340651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).