N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide

C27H34N2 — CID 122216334

IUPACN'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide
SMILESCC(C)c1cccc(C(C)C)c1N/C(C#Cc1ccccc1)=N/C1CCCCC1
InChIInChI=1S/C27H34N2/c1-20(2)24-16-11-17-25(21(3)4)27(24)29-26(28-23-14-9-6-10-15-23)19-18-22-12-7-5-8-13-22/h5,7-8,11-13,16-17,20-21,23H,6,9-10,14-15H2,1-4H3,(H,28,29)
InChIKeyCKRPUMAPMALREB-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.13
Rot. Bonds4

About N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide

N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide (PubChem CID 122216334) has the molecular formula C27H34N2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide
PubChem CID122216334
Molecular FormulaC27H34N2
Molecular Weight386.58 g/mol
Exact Mass386.27
IUPAC NameN'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide
SMILESCC(C)c1cccc(C(C)C)c1N/C(C#Cc1ccccc1)=N/C1CCCCC1
InChIInChI=1S/C27H34N2/c1-20(2)24-16-11-17-25(21(3)4)27(24)29-26(28-23-14-9-6-10-15-23)19-18-22-12-7-5-8-13-22/h5,7-8,11-13,16-17,20-21,23H,6,9-10,14-15H2,1-4H3,(H,28,29)
InChIKeyCKRPUMAPMALREB-UHFFFAOYSA-N
XLogP7.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N'-[(6S)-2,6-di(propan-2-yl)cyclohexyl]-N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboximidamide
CID 58114908
1-[cyclohexyl(phenylsulfanyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 68631998
N-[(E)-4-[(1S,2S)-2-[[(E)-4-[2,6-di(propan-2-yl)anilino]pent-3-en-2-ylidene]amino]cyclohexyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 177499645
N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide
CID 122216332
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
methyl N'-cyclopentyl-N-[2,4,6-tri(propan-2-yl)phenyl]carbamimidothioate
CID 150391369
1-(4-cyclohexylcyclohexyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935038
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide?
The IUPAC name of N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide (CID 122216334) is N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide.
What is the SMILES notation for N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide?
The canonical SMILES for N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide is CC(C)c1cccc(C(C)C)c1N/C(C#Cc1ccccc1)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide?
The InChIKey is CKRPUMAPMALREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2/c1-20(2)24-16-11-17-25(21(3)4)27(24)29-26(28-23-14-9-6-10-15-23)19-18-22-12-7-5-8-13-22/h5,7-8,11-13,16-17,20-21,23H,6,9-10,14-15H2,1-4H3,(H,28,29).
What are the key properties of N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide?
N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide has a molecular weight of 386.58 g/mol, XLogP of 7.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide is sourced from PubChem (CID 122216334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).