N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine

C28H36N2 — CID 66994094

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine
SMILESCCCCN(Cc1ccccc1)Cc1ccc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C28H36N2/c1-5-8-19-30(20-23-13-10-9-11-14-23)21-26-17-18-27(29-22(26)4)28-24(6-2)15-12-16-25(28)7-3/h9-18H,5-8,19-21H2,1-4H3
InChIKeyBLOOKNMKCGOJDD-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.98
Rot. Bonds10

About N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine

N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine (PubChem CID 66994094) has the molecular formula C28H36N2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine
PubChem CID66994094
Molecular FormulaC28H36N2
Molecular Weight400.61 g/mol
Exact Mass400.29
IUPAC NameN-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine
SMILESCCCCN(Cc1ccccc1)Cc1ccc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C28H36N2/c1-5-8-19-30(20-23-13-10-9-11-14-23)21-26-17-18-27(29-22(26)4)28-24(6-2)15-12-16-25(28)7-3/h9-18H,5-8,19-21H2,1-4H3
InChIKeyBLOOKNMKCGOJDD-UHFFFAOYSA-N
XLogP6.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
CID 66994944
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
CID 66993952
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine
CID 66994957
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
CID 66993843
N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
CID 66995096
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
CID 66994684
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine
CID 66993822
N-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2245013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine (CID 66994094) is N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine is CCCCN(Cc1ccccc1)Cc1ccc(-c2c(CC)cccc2CC)nc1C.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine?
The InChIKey is BLOOKNMKCGOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2/c1-5-8-19-30(20-23-13-10-9-11-14-23)21-26-17-18-27(29-22(26)4)28-24(6-2)15-12-16-25(28)7-3/h9-18H,5-8,19-21H2,1-4H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine has a molecular weight of 400.61 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine is sourced from PubChem (CID 66994094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).