1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide

C34H40N6 — CID 101116594

IUPAC1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide
SMILESCc1cc(C)c(NC(=N/CCc2ccccn2)/C(=N\CCc2ccccn2)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C34H40N6/c1-23-19-25(3)31(26(4)20-23)39-33(37-17-13-29-11-7-9-15-35-29)34(38-18-14-30-12-8-10-16-36-30)40-32-27(5)21-24(2)22-28(32)6/h7-12,15-16,19-22H,13-14,17-18H2,1-6H3,(H,37,39)(H,38,40)
InChIKeyBUIKHKVUEOVHMJ-UHFFFAOYSA-N
MW532.74 g/mol
LogP7.13
Rot. Bonds8

About 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide

1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide (PubChem CID 101116594) has the molecular formula C34H40N6 and a molecular weight of 532.74 g/mol. Its IUPAC name is 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide.

Molecular Properties

Compound Name1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide
PubChem CID101116594
Molecular FormulaC34H40N6
Molecular Weight532.74 g/mol
Exact Mass532.33
IUPAC Name1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide
SMILESCc1cc(C)c(NC(=N/CCc2ccccn2)/C(=N\CCc2ccccn2)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C34H40N6/c1-23-19-25(3)31(26(4)20-23)39-33(37-17-13-29-11-7-9-15-35-29)34(38-18-14-30-12-8-10-16-36-30)40-32-27(5)21-24(2)22-28(32)6/h7-12,15-16,19-22H,13-14,17-18H2,1-6H3,(H,37,39)(H,38,40)
InChIKeyBUIKHKVUEOVHMJ-UHFFFAOYSA-N
XLogP7.13
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.74
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide with MolForge

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Related Compounds

3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024703
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
CID 139101300
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide?
The IUPAC name of 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide (CID 101116594) is 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide.
What is the SMILES notation for 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide?
The canonical SMILES for 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide is Cc1cc(C)c(NC(=N/CCc2ccccn2)/C(=N\CCc2ccccn2)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide?
The InChIKey is BUIKHKVUEOVHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6/c1-23-19-25(3)31(26(4)20-23)39-33(37-17-13-29-11-7-9-15-35-29)34(38-18-14-30-12-8-10-16-36-30)40-32-27(5)21-24(2)22-28(32)6/h7-12,15-16,19-22H,13-14,17-18H2,1-6H3,(H,37,39)(H,38,40).
What are the key properties of 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide?
1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide has a molecular weight of 532.74 g/mol, XLogP of 7.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide is sourced from PubChem (CID 101116594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).