1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine

C36H40N6 — CID 11607609

IUPAC1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccc(CN(Cc2cccc(CN(Cc3cccc(C)n3)Cc3cccc(C)n3)c2)Cc2cccc(C)n2)n1
InChIInChI=1S/C36H40N6/c1-27-10-5-16-33(37-27)23-41(24-34-17-6-11-28(2)38-34)21-31-14-9-15-32(20-31)22-42(25-35-18-7-12-29(3)39-35)26-36-19-8-13-30(4)40-36/h5-20H,21-26H2,1-4H3
InChIKeyKXTSNCLFPRPGNS-UHFFFAOYSA-N
MW556.76 g/mol
LogP6.91
Rot. Bonds12

About 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine

1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 11607609) has the molecular formula C36H40N6 and a molecular weight of 556.76 g/mol. Its IUPAC name is 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID11607609
Molecular FormulaC36H40N6
Molecular Weight556.76 g/mol
Exact Mass556.33
IUPAC Name1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccc(CN(Cc2cccc(CN(Cc3cccc(C)n3)Cc3cccc(C)n3)c2)Cc2cccc(C)n2)n1
InChIInChI=1S/C36H40N6/c1-27-10-5-16-33(37-27)23-41(24-34-17-6-11-28(2)38-34)21-31-14-9-15-32(20-31)22-42(25-35-18-7-12-29(3)39-35)26-36-19-8-13-30(4)40-36/h5-20H,21-26H2,1-4H3
InChIKeyKXTSNCLFPRPGNS-UHFFFAOYSA-N
XLogP6.91
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.76
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine with MolForge

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Related Compounds

N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
N-[[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-5-nitrophenyl]methyl]-1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102180294
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
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 46979349
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
2,6-bis[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-4-methoxyphenol
CID 102180291
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine (CID 11607609) is 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine is Cc1cccc(CN(Cc2cccc(CN(Cc3cccc(C)n3)Cc3cccc(C)n3)c2)Cc2cccc(C)n2)n1.
What is the InChIKey of 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is KXTSNCLFPRPGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N6/c1-27-10-5-16-33(37-27)23-41(24-34-17-6-11-28(2)38-34)21-31-14-9-15-32(20-31)22-42(25-35-18-7-12-29(3)39-35)26-36-19-8-13-30(4)40-36/h5-20H,21-26H2,1-4H3.
What are the key properties of 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine?
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 556.76 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 11607609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).