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

C30H40N2 — CID 66995096

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
SMILESCCc1cccc(CC)c1-c1cc(C)c(CN(Cc2ccccc2)C(CC)CC)c(C)n1
InChIInChI=1S/C30H40N2/c1-7-25-17-14-18-26(8-2)30(25)29-19-22(5)28(23(6)31-29)21-32(27(9-3)10-4)20-24-15-12-11-13-16-24/h11-19,27H,7-10,20-21H2,1-6H3
InChIKeyJAODOEFCAXFWIA-UHFFFAOYSA-N
MW428.66 g/mol
LogP7.68
Rot. Bonds10

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

N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine (PubChem CID 66995096) has the molecular formula C30H40N2 and a molecular weight of 428.66 g/mol. Its IUPAC name is N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
PubChem CID66995096
Molecular FormulaC30H40N2
Molecular Weight428.66 g/mol
Exact Mass428.32
IUPAC NameN-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
SMILESCCc1cccc(CC)c1-c1cc(C)c(CN(Cc2ccccc2)C(CC)CC)c(C)n1
InChIInChI=1S/C30H40N2/c1-7-25-17-14-18-26(8-2)30(25)29-19-22(5)28(23(6)31-29)21-32(27(9-3)10-4)20-24-15-12-11-13-16-24/h11-19,27H,7-10,20-21H2,1-6H3
InChIKeyJAODOEFCAXFWIA-UHFFFAOYSA-N
XLogP7.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
2,6-Diphenylpyridine
CID 72920
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
Ropizine
CID 9568666
Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
Lopac-P-6902
CID 667440
2,6-bis[(E)-2-phenylethenyl]pyridine
CID 5899185
2,4-Bis(benzyl)pyridine
CID 96510

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine (CID 66995096) is N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine is CCc1cccc(CC)c1-c1cc(C)c(CN(Cc2ccccc2)C(CC)CC)c(C)n1.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
The InChIKey is JAODOEFCAXFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2/c1-7-25-17-14-18-26(8-2)30(25)29-19-22(5)28(23(6)31-29)21-32(27(9-3)10-4)20-24-15-12-11-13-16-24/h11-19,27H,7-10,20-21H2,1-6H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine has a molecular weight of 428.66 g/mol, XLogP of 7.68, 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)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine is sourced from PubChem (CID 66995096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).