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

C32H52N2O — CID 66994684

IUPACN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C32H52N2O/c1-8-12-14-16-21-34(22-17-15-13-9-2)24-29-26(7)33-30(23-31(29)35-25(5)6)32-27(10-3)19-18-20-28(32)11-4/h18-20,23,25H,8-17,21-22,24H2,1-7H3
InChIKeyFJMDDFWUWBUUBD-UHFFFAOYSA-N
MW480.78 g/mol
LogP8.93
Rot. Bonds17

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

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine (PubChem CID 66994684) has the molecular formula C32H52N2O and a molecular weight of 480.78 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
PubChem CID66994684
Molecular FormulaC32H52N2O
Molecular Weight480.78 g/mol
Exact Mass480.41
IUPAC NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C32H52N2O/c1-8-12-14-16-21-34(22-17-15-13-9-2)24-29-26(7)33-30(23-31(29)35-25(5)6)32-27(10-3)19-18-20-28(32)11-4/h18-20,23,25H,8-17,21-22,24H2,1-7H3
InChIKeyFJMDDFWUWBUUBD-UHFFFAOYSA-N
XLogP8.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine (CID 66994684) is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine is CCCCCCN(CCCCCC)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-hexylhexan-1-amine?
The InChIKey is FJMDDFWUWBUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N2O/c1-8-12-14-16-21-34(22-17-15-13-9-2)24-29-26(7)33-30(23-31(29)35-25(5)6)32-27(10-3)19-18-20-28(32)11-4/h18-20,23,25H,8-17,21-22,24H2,1-7H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine?
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine has a molecular weight of 480.78 g/mol, XLogP of 8.93, 17 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-hexylhexan-1-amine is sourced from PubChem (CID 66994684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).