N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide

C16H26N2 — CID 122212569

IUPACN-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
SMILESCC(C)/N=C/Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H26N2/c1-11(2)14-8-7-9-15(12(3)4)16(14)18-10-17-13(5)6/h7-13H,1-6H3,(H,17,18)
InChIKeyKXKUQEYWRPHMKC-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.78
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide

N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide (PubChem CID 122212569) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
PubChem CID122212569
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
SMILESCC(C)/N=C/Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H26N2/c1-11(2)14-8-7-9-15(12(3)4)16(14)18-10-17-13(5)6/h7-13H,1-6H3,(H,17,18)
InChIKeyKXKUQEYWRPHMKC-UHFFFAOYSA-N
XLogP4.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.78
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'}

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Related Compounds

2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
CID 20660934
N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 86234862
N-[bromo-[2,6-di(propan-2-yl)anilino]boranyl]-2,6-di(propan-2-yl)aniline
CID 139128549
N-ethyl-2,6-di(propan-2-yl)aniline;trichlorocobalt
CID 175492359
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[[2,6-di(propan-2-yl)anilino]-di(propan-2-yl)silyl]-2,6-di(propan-2-yl)aniline
CID 139132579
N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
CID 15909342
3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
1-N-ethenyl-2-N-methyl-1-N,3-di(propan-2-yl)benzene-1,2-diamine
CID 167190707
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
CID 130177836

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide (CID 122212569) is N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide is CC(C)/N=C/Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide?
The InChIKey is KXKUQEYWRPHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(2)14-8-7-9-15(12(3)4)16(14)18-10-17-13(5)6/h7-13H,1-6H3,(H,17,18).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide?
N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide has a molecular weight of 246.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 122212569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).