1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole

C25H45N3O — CID 164996552

IUPAC1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole
SMILESCC1=CCN(C)C1.CC1=CCNC1.CC1=CCOCC1.CCN1CC=C(C)CC1
InChIInChI=1S/C8H15N.C6H11N.C6H10O.C5H9N/c1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(2)5-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5/h4H,3,5-7H2,1-2H3;3H,4-5H2,1-2H3;2H,3-5H2,1H3;2,6H,3-4H2,1H3
InChIKeyHQDSMBKUQYEZPO-UHFFFAOYSA-N
MW403.66 g/mol
LogP4.43
Rot. Bonds1

About 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole

1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole (PubChem CID 164996552) has the molecular formula C25H45N3O and a molecular weight of 403.66 g/mol. Its IUPAC name is 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole
PubChem CID164996552
Molecular FormulaC25H45N3O
Molecular Weight403.66 g/mol
Exact Mass403.36
IUPAC Name1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole
SMILESCC1=CCN(C)C1.CC1=CCNC1.CC1=CCOCC1.CCN1CC=C(C)CC1
InChIInChI=1S/C8H15N.C6H11N.C6H10O.C5H9N/c1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(2)5-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5/h4H,3,5-7H2,1-2H3;3H,4-5H2,1-2H3;2H,3-5H2,1H3;2,6H,3-4H2,1H3
InChIKeyHQDSMBKUQYEZPO-UHFFFAOYSA-N
XLogP4.43
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.66
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole with MolForge

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Related Compounds

4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
4-(Propoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404558
4-(Butoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404560
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114410938
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 114410939
N-ethyl-3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114410995
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylbutan-1-amine
CID 114411057
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)pentan-1-amine
CID 114413393
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 114413422
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylpropyl)butan-1-amine
CID 114413433
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylbutan-1-amine
CID 114413488
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 114413500

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole (CID 164996552) is 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole is CC1=CCN(C)C1.CC1=CCNC1.CC1=CCOCC1.CCN1CC=C(C)CC1.
What is the InChIKey of 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole?
The InChIKey is HQDSMBKUQYEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C6H11N.C6H10O.C5H9N/c1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(2)5-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5/h4H,3,5-7H2,1-2H3;3H,4-5H2,1-2H3;2H,3-5H2,1H3;2,6H,3-4H2,1H3.
What are the key properties of 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole?
1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole has a molecular weight of 403.66 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,5-dihydropyrrole;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;4-methyl-3,6-dihydro-2H-pyran;3-methyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 164996552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).