N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide

C26H31N3 — CID 139174144

IUPACN-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1N/C(=N/CCc1ccccn1)c1ccccc1
InChIInChI=1S/C26H31N3/c1-19(2)23-14-10-15-24(20(3)4)25(23)29-26(21-11-6-5-7-12-21)28-18-16-22-13-8-9-17-27-22/h5-15,17,19-20H,16,18H2,1-4H3,(H,28,29)
InChIKeyZWOJRIGPTQQVKN-UHFFFAOYSA-N
MW385.56 g/mol
LogP6.43
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide

N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide (PubChem CID 139174144) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
PubChem CID139174144
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
SMILESCC(C)c1cccc(C(C)C)c1N/C(=N/CCc1ccccn1)c1ccccc1
InChIInChI=1S/C26H31N3/c1-19(2)23-14-10-15-24(20(3)4)25(23)29-26(21-11-6-5-7-12-21)28-18-16-22-13-8-9-17-27-22/h5-15,17,19-20H,16,18H2,1-4H3,(H,28,29)
InChIKeyZWOJRIGPTQQVKN-UHFFFAOYSA-N
XLogP6.43
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)thiourea
CID 134113662
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-N',2-N'-bis(2-pyridin-2-ylethyl)-1-N,2-N-bis(2,4,6-trimethylphenyl)ethanediimidamide
CID 101116594
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 23988043
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide
CID 139174149
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
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
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide (CID 139174144) is N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide is CC(C)c1cccc(C(C)C)c1N/C(=N/CCc1ccccn1)c1ccccc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide?
The InChIKey is ZWOJRIGPTQQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3/c1-19(2)23-14-10-15-24(20(3)4)25(23)29-26(21-11-6-5-7-12-21)28-18-16-22-13-8-9-17-27-22/h5-15,17,19-20H,16,18H2,1-4H3,(H,28,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide?
N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide has a molecular weight of 385.56 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide is sourced from PubChem (CID 139174144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).