N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine

C31H42N2O — CID 66994276

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine
SMILESCCc1cccc(CC)c1-c1nc(C)c(CN(Cc2ccccc2)C(CC)CC)c(OC)c1C
InChIInChI=1S/C31H42N2O/c1-8-25-18-15-19-26(9-2)29(25)30-22(5)31(34-7)28(23(6)32-30)21-33(27(10-3)11-4)20-24-16-13-12-14-17-24/h12-19,27H,8-11,20-21H2,1-7H3
InChIKeyZZXGTAUOLODDSS-UHFFFAOYSA-N
MW458.69 g/mol
LogP7.69
Rot. Bonds11

About N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine (PubChem CID 66994276) has the molecular formula C31H42N2O and a molecular weight of 458.69 g/mol. Its IUPAC name is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine
PubChem CID66994276
Molecular FormulaC31H42N2O
Molecular Weight458.69 g/mol
Exact Mass458.33
IUPAC NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine
SMILESCCc1cccc(CC)c1-c1nc(C)c(CN(Cc2ccccc2)C(CC)CC)c(OC)c1C
InChIInChI=1S/C31H42N2O/c1-8-25-18-15-19-26(9-2)29(25)30-22(5)31(34-7)28(23(6)32-30)21-33(27(10-3)11-4)20-24-16-13-12-14-17-24/h12-19,27H,8-11,20-21H2,1-7H3
InChIKeyZZXGTAUOLODDSS-UHFFFAOYSA-N
XLogP7.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine (CID 66994276) is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine is CCc1cccc(CC)c1-c1nc(C)c(CN(Cc2ccccc2)C(CC)CC)c(OC)c1C.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
The InChIKey is ZZXGTAUOLODDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O/c1-8-25-18-15-19-26(9-2)29(25)30-22(5)31(34-7)28(23(6)32-30)21-33(27(10-3)11-4)20-24-16-13-12-14-17-24/h12-19,27H,8-11,20-21H2,1-7H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine has a molecular weight of 458.69 g/mol, XLogP of 7.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine is sourced from PubChem (CID 66994276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).