6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine

C24H33N5O — CID 89332340

IUPAC6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N/N=C/c2cccc(C)c2)nc(OCCNC2=CCCCC2)c1
InChIInChI=1S/C24H33N5O/c1-3-12-25-22-16-23(29-27-18-20-9-7-8-19(2)15-20)28-24(17-22)30-14-13-26-21-10-5-4-6-11-21/h7-10,15-18,26H,3-6,11-14H2,1-2H3,(H2,25,28,29)/b27-18+
InChIKeyPFMNQLIYNNCAOW-OVVQPSECSA-N
MW407.56 g/mol
LogP5.08
Rot. Bonds11

About 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine

6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine (PubChem CID 89332340) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine
PubChem CID89332340
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(N/N=C/c2cccc(C)c2)nc(OCCNC2=CCCCC2)c1
InChIInChI=1S/C24H33N5O/c1-3-12-25-22-16-23(29-27-18-20-9-7-8-19(2)15-20)28-24(17-22)30-14-13-26-21-10-5-4-6-11-21/h7-10,15-18,26H,3-6,11-14H2,1-2H3,(H2,25,28,29)/b27-18+
InChIKeyPFMNQLIYNNCAOW-OVVQPSECSA-N
XLogP5.08
TPSA70.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 89331892
2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 66682212
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
CID 89332299
2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
CID 89332304
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
6-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11190459

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine?
The IUPAC name of 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine (CID 89332340) is 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine?
The canonical SMILES for 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine is CCCNc1cc(N/N=C/c2cccc(C)c2)nc(OCCNC2=CCCCC2)c1.
What is the InChIKey of 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine?
The InChIKey is PFMNQLIYNNCAOW-OVVQPSECSA-N. The full InChI is InChI=1S/C24H33N5O/c1-3-12-25-22-16-23(29-27-18-20-9-7-8-19(2)15-20)28-24(17-22)30-14-13-26-21-10-5-4-6-11-21/h7-10,15-18,26H,3-6,11-14H2,1-2H3,(H2,25,28,29)/b27-18+.
What are the key properties of 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine?
6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine has a molecular weight of 407.56 g/mol, XLogP of 5.08, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-ylamino)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 89332340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).