N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine

C33H46N2O — CID 66994944

IUPACN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
SMILESCCCCCN(CCc1ccccc1)Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C33H46N2O/c1-7-10-14-21-35(22-20-27-16-12-11-13-17-27)24-30-26(6)34-31(23-32(30)36-25(4)5)33-28(8-2)18-15-19-29(33)9-3/h11-13,15-19,23,25H,7-10,14,20-22,24H2,1-6H3
InChIKeyZXRWCMJZJSNTBZ-UHFFFAOYSA-N
MW486.74 g/mol
LogP8.20
Rot. Bonds14

About N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine (PubChem CID 66994944) has the molecular formula C33H46N2O and a molecular weight of 486.74 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
PubChem CID66994944
Molecular FormulaC33H46N2O
Molecular Weight486.74 g/mol
Exact Mass486.36
IUPAC NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
SMILESCCCCCN(CCc1ccccc1)Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C33H46N2O/c1-7-10-14-21-35(22-20-27-16-12-11-13-17-27)24-30-26(6)34-31(23-32(30)36-25(4)5)33-28(8-2)18-15-19-29(33)9-3/h11-13,15-19,23,25H,7-10,14,20-22,24H2,1-6H3
InChIKeyZXRWCMJZJSNTBZ-UHFFFAOYSA-N
XLogP8.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine 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 N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine (CID 66994944) is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine is CCCCCN(CCc1ccccc1)Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C.
What is the InChIKey of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine?
The InChIKey is ZXRWCMJZJSNTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N2O/c1-7-10-14-21-35(22-20-27-16-12-11-13-17-27)24-30-26(6)34-31(23-32(30)36-25(4)5)33-28(8-2)18-15-19-29(33)9-3/h11-13,15-19,23,25H,7-10,14,20-22,24H2,1-6H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine?
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine has a molecular weight of 486.74 g/mol, XLogP of 8.20, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine is sourced from PubChem (CID 66994944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).