N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide

C32H49N3 — CID 102394445

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)N1C(C)CCCC1C
InChIInChI=1S/C32H49N3/c1-20(2)26-16-12-17-27(21(3)4)30(26)33-32(35-24(9)14-11-15-25(35)10)34-31-28(22(5)6)18-13-19-29(31)23(7)8/h12-13,16-25H,11,14-15H2,1-10H3,(H,33,34)
InChIKeyBFBOWRIYSUKNEK-UHFFFAOYSA-N
MW475.77 g/mol
LogP9.54
Rot. Bonds6

About N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide

N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide (PubChem CID 102394445) has the molecular formula C32H49N3 and a molecular weight of 475.77 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide
PubChem CID102394445
Molecular FormulaC32H49N3
Molecular Weight475.77 g/mol
Exact Mass475.39
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)N1C(C)CCCC1C
InChIInChI=1S/C32H49N3/c1-20(2)26-16-12-17-27(21(3)4)30(26)33-32(35-24(9)14-11-15-25(35)10)34-31-28(22(5)6)18-13-19-29(31)23(7)8/h12-13,16-25H,11,14-15H2,1-10H3,(H,33,34)
InChIKeyBFBOWRIYSUKNEK-UHFFFAOYSA-N
XLogP9.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.77
LogP ≤ 59.54
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

N-ditert-butylphosphanyl-N'-[2,6-di(propan-2-yl)phenyl]piperidine-1-carboximidamide
CID 132546445
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108986491
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
3-[2,6-di(propan-2-yl)anilino]-3-[2,6-di(propan-2-yl)phenyl]imino-2-methylpropanoic acid
CID 91068958
N-[(E)-3-chloro-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139133966
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139113697
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066
N'-[(6S)-2,6-di(propan-2-yl)cyclohexyl]-N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboximidamide
CID 58114908
N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
CID 72959562
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]-3-(2-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropanamide
CID 139751019

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide (CID 102394445) is N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide is CC(C)c1cccc(C(C)C)c1/N=C(/Nc1c(C(C)C)cccc1C(C)C)N1C(C)CCCC1C.
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide?
The InChIKey is BFBOWRIYSUKNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N3/c1-20(2)26-16-12-17-27(21(3)4)30(26)33-32(35-24(9)14-11-15-25(35)10)34-31-28(22(5)6)18-13-19-29(31)23(7)8/h12-13,16-25H,11,14-15H2,1-10H3,(H,33,34).
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide?
N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide has a molecular weight of 475.77 g/mol, XLogP of 9.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,6-di(propan-2-yl)phenyl]-2,6-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 102394445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).