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

C30H40N2O — CID 66993822

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine
SMILESCCCC(C)N(Cc1ccccc1)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C30H40N2O/c1-7-14-22(4)32(20-24-15-11-10-12-16-24)21-27-23(5)31-28(19-29(27)33-6)30-25(8-2)17-13-18-26(30)9-3/h10-13,15-19,22H,7-9,14,20-21H2,1-6H3
InChIKeyAKKRKQKUQLJWKQ-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-2-amine

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine (PubChem CID 66993822) 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-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine
PubChem CID66993822
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-2-amine
SMILESCCCC(C)N(Cc1ccccc1)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C30H40N2O/c1-7-14-22(4)32(20-24-15-11-10-12-16-24)21-27-23(5)31-28(19-29(27)33-6)30-25(8-2)17-13-18-26(30)9-3/h10-13,15-19,22H,7-9,14,20-21H2,1-6H3
InChIKeyAKKRKQKUQLJWKQ-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-2-amine with MolForge

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Related Compounds

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine
CID 66994563
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 67291088
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
CID 66993952
benzyl-cyclohexylidene-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]azanium
CID 87228789
N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
CID 66995096
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)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine
CID 90827308
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 66993616
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)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
CID 66993843
6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
CID 66995168
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-2-amine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine (CID 66993822) is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine is CCCC(C)N(Cc1ccccc1)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine?
The InChIKey is AKKRKQKUQLJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O/c1-7-14-22(4)32(20-24-15-11-10-12-16-24)21-27-23(5)31-28(19-29(27)33-6)30-25(8-2)17-13-18-26(30)9-3/h10-13,15-19,22H,7-9,14,20-21H2,1-6H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-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-2-amine is sourced from PubChem (CID 66993822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).