3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C30H55N3 — CID 154984581

IUPAC3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C(C)C)CC1CCN1CCC(C(C)(C)CC(C)C2=CCN(C(C)C)C2)C1
InChIInChI=1S/C30H55N3/c1-22(2)29-13-17-33(24(5)6)20-27(29)10-14-31-15-12-28(21-31)30(8,9)18-25(7)26-11-16-32(19-26)23(3)4/h11,13,22-25,27-28H,10,12,14-21H2,1-9H3
InChIKeyDLWBNEHVMPANNL-UHFFFAOYSA-N
MW457.79 g/mol
LogP6.32
Rot. Bonds10

About 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 154984581) has the molecular formula C30H55N3 and a molecular weight of 457.79 g/mol. Its IUPAC name is 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID154984581
Molecular FormulaC30H55N3
Molecular Weight457.79 g/mol
Exact Mass457.44
IUPAC Name3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C(C)C)CC1CCN1CCC(C(C)(C)CC(C)C2=CCN(C(C)C)C2)C1
InChIInChI=1S/C30H55N3/c1-22(2)29-13-17-33(24(5)6)20-27(29)10-14-31-15-12-28(21-31)30(8,9)18-25(7)26-11-16-32(19-26)23(3)4/h11,13,22-25,27-28H,10,12,14-21H2,1-9H3
InChIKeyDLWBNEHVMPANNL-UHFFFAOYSA-N
XLogP6.32
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 154984581) is 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(C(C)C)CC1CCN1CCC(C(C)(C)CC(C)C2=CCN(C(C)C)C2)C1.
What is the InChIKey of 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is DLWBNEHVMPANNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N3/c1-22(2)29-13-17-33(24(5)6)20-27(29)10-14-31-15-12-28(21-31)30(8,9)18-25(7)26-11-16-32(19-26)23(3)4/h11,13,22-25,27-28H,10,12,14-21H2,1-9H3.
What are the key properties of 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 457.79 g/mol, XLogP of 6.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-methyl-4-(1-propan-2-yl-2,5-dihydropyrrol-3-yl)pentan-2-yl]pyrrolidin-1-yl]ethyl]-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 154984581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).