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

C30H40N2O — CID 66994563

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(CN(Cc2ccccc2)C(CC)CC)c(C)n1
InChIInChI=1S/C30H40N2O/c1-7-24-17-14-18-25(8-2)30(24)28-19-29(33-6)27(22(5)31-28)21-32(26(9-3)10-4)20-23-15-12-11-13-16-23/h11-19,26H,7-10,20-21H2,1-6H3
InChIKeyUDUBOYHGMAHUQQ-UHFFFAOYSA-N
MW444.66 g/mol
LogP7.38
Rot. Bonds11

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

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine (PubChem CID 66994563) has the molecular formula C30H40N2O and a molecular weight of 444.66 g/mol. Its IUPAC name is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine
PubChem CID66994563
Molecular FormulaC30H40N2O
Molecular Weight444.66 g/mol
Exact Mass444.31
IUPAC NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(CN(Cc2ccccc2)C(CC)CC)c(C)n1
InChIInChI=1S/C30H40N2O/c1-7-24-17-14-18-25(8-2)30(24)28-19-29(33-6)27(22(5)31-28)21-32(26(9-3)10-4)20-23-15-12-11-13-16-23/h11-19,26H,7-10,20-21H2,1-6H3
InChIKeyUDUBOYHGMAHUQQ-UHFFFAOYSA-N
XLogP7.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine with MolForge

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Related Compounds

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine
CID 66993822
N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
CID 66995096
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 67291088
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2,5-dimethyl-3-pyridinyl]methyl]pentan-3-amine
CID 66994276
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
CID 66993952
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 66993616
benzyl-cyclohexylidene-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]azanium
CID 87228789
N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
CID 66993843
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine
CID 90827308
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine
CID 66995144
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
CID 66994944
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propan-1-amine
CID 66993566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine (CID 66994563) is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine is CCc1cccc(CC)c1-c1cc(OC)c(CN(Cc2ccccc2)C(CC)CC)c(C)n1.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine?
The InChIKey is UDUBOYHGMAHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O/c1-7-24-17-14-18-25(8-2)30(24)28-19-29(33-6)27(22(5)31-28)21-32(26(9-3)10-4)20-23-15-12-11-13-16-23/h11-19,26H,7-10,20-21H2,1-6H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine has a molecular weight of 444.66 g/mol, XLogP of 7.38, 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-methyl-3-pyridinyl]methyl]pentan-3-amine is sourced from PubChem (CID 66994563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).