6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine

C27H42N6O — CID 89358423

IUPAC6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(N(CC)CCN2CCOCC2)c1
InChIInChI=1S/C27H42N6O/c1-5-11-33(12-6-2)25-20-26(30-28-22-24-10-8-9-23(4)19-24)29-27(21-25)32(7-3)14-13-31-15-17-34-18-16-31/h8-10,19-22H,5-7,11-18H2,1-4H3,(H,29,30)/b28-22+
InChIKeySFMJGURJWMZVFD-XAYXJRQQSA-N
MW466.67 g/mol
LogP4.62
Rot. Bonds13

About 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine

6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine (PubChem CID 89358423) has the molecular formula C27H42N6O and a molecular weight of 466.67 g/mol. Its IUPAC name is 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
PubChem CID89358423
Molecular FormulaC27H42N6O
Molecular Weight466.67 g/mol
Exact Mass466.34
IUPAC Name6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(N(CC)CCN2CCOCC2)c1
InChIInChI=1S/C27H42N6O/c1-5-11-33(12-6-2)25-20-26(30-28-22-24-10-8-9-23(4)19-24)29-27(21-25)32(7-3)14-13-31-15-17-34-18-16-31/h8-10,19-22H,5-7,11-18H2,1-4H3,(H,29,30)/b28-22+
InChIKeySFMJGURJWMZVFD-XAYXJRQQSA-N
XLogP4.62
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine (CID 89358423) is 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine is CCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(N(CC)CCN2CCOCC2)c1.
What is the InChIKey of 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine?
The InChIKey is SFMJGURJWMZVFD-XAYXJRQQSA-N. The full InChI is InChI=1S/C27H42N6O/c1-5-11-33(12-6-2)25-20-26(30-28-22-24-10-8-9-23(4)19-24)29-27(21-25)32(7-3)14-13-31-15-17-34-18-16-31/h8-10,19-22H,5-7,11-18H2,1-4H3,(H,29,30)/b28-22+.
What are the key properties of 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine?
6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine has a molecular weight of 466.67 g/mol, XLogP of 4.62, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine is sourced from PubChem (CID 89358423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).