N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C30H34N4 — CID 102375752

IUPACN,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN(Cc2ccccc2)Cc2cccc(C)n2)Cc2ccccc2)n1
InChIInChI=1S/C30H34N4/c1-25-11-9-17-29(31-25)23-33(21-27-13-5-3-6-14-27)19-20-34(22-28-15-7-4-8-16-28)24-30-18-10-12-26(2)32-30/h3-18H,19-24H2,1-2H3
InChIKeyNHFUICZAXYBAES-UHFFFAOYSA-N
MW450.63 g/mol
LogP5.80
Rot. Bonds11

About N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 102375752) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID102375752
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC NameN,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN(Cc2ccccc2)Cc2cccc(C)n2)Cc2ccccc2)n1
InChIInChI=1S/C30H34N4/c1-25-11-9-17-29(31-25)23-33(21-27-13-5-3-6-14-27)19-20-34(22-28-15-7-4-8-16-28)24-30-18-10-12-26(2)32-30/h3-18H,19-24H2,1-2H3
InChIKeyNHFUICZAXYBAES-UHFFFAOYSA-N
XLogP5.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dibenzyl-N-[3-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]propyl]-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 102022894
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 46979349
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine
CID 101120359
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
N-benzyl-N-[[6-(chloromethyl)-2-pyridinyl]methyl]-2-ethylsulfanylethanamine
CID 135207667
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 102375752) is N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(CCN(Cc2ccccc2)Cc2cccc(C)n2)Cc2ccccc2)n1.
What is the InChIKey of N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is NHFUICZAXYBAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-25-11-9-17-29(31-25)23-33(21-27-13-5-3-6-14-27)19-20-34(22-28-15-7-4-8-16-28)24-30-18-10-12-26(2)32-30/h3-18H,19-24H2,1-2H3.
What are the key properties of N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 450.63 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102375752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).