2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine

C24H33N7 — CID 102299655

IUPAC2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine
SMILESCn1cccc/c1=N\CCN(CC/N=c1\ccccn1C)CC/N=c1\ccccn1C
InChIInChI=1S/C24H33N7/c1-28-16-7-4-10-22(28)25-13-19-31(20-14-26-23-11-5-8-17-29(23)2)21-15-27-24-12-6-9-18-30(24)3/h4-12,16-18H,13-15,19-21H2,1-3H3/b25-22+,26-23+,27-24+
InChIKeyZARWQQZQMKCQIY-NQXXUPRISA-N
MW419.58 g/mol
LogP1.11
Rot. Bonds9

About 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine

2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine (PubChem CID 102299655) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine.

Molecular Properties

Compound Name2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine
PubChem CID102299655
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine
SMILESCn1cccc/c1=N\CCN(CC/N=c1\ccccn1C)CC/N=c1\ccccn1C
InChIInChI=1S/C24H33N7/c1-28-16-7-4-10-22(28)25-13-19-31(20-14-26-23-11-5-8-17-29(23)2)21-15-27-24-12-6-9-18-30(24)3/h4-12,16-18H,13-15,19-21H2,1-3H3/b25-22+,26-23+,27-24+
InChIKeyZARWQQZQMKCQIY-NQXXUPRISA-N
XLogP1.11
TPSA55.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine?
The IUPAC name of 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine (CID 102299655) is 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine.
What is the SMILES notation for 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine?
The canonical SMILES for 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine is Cn1cccc/c1=N\CCN(CC/N=c1\ccccn1C)CC/N=c1\ccccn1C.
What is the InChIKey of 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine?
The InChIKey is ZARWQQZQMKCQIY-NQXXUPRISA-N. The full InChI is InChI=1S/C24H33N7/c1-28-16-7-4-10-22(28)25-13-19-31(20-14-26-23-11-5-8-17-29(23)2)21-15-27-24-12-6-9-18-30(24)3/h4-12,16-18H,13-15,19-21H2,1-3H3/b25-22+,26-23+,27-24+.
What are the key properties of 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine?
2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine has a molecular weight of 419.58 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-pyridinylidene)amino]-N,N-bis[2-[(1-methyl-2-pyridinylidene)amino]ethyl]ethanamine is sourced from PubChem (CID 102299655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).