N'-(2,3,3-trimethylbutyl)benzenecarboximidamide

C14H22N2 — CID 79822282

IUPACN'-(2,3,3-trimethylbutyl)benzenecarboximidamide
SMILESCC(C/N=C(\N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2/c1-11(14(2,3)4)10-16-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,15,16)
InChIKeyHIGJHDWEBMHHSF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.07
Rot. Bonds3

About N'-(2,3,3-trimethylbutyl)benzenecarboximidamide

N'-(2,3,3-trimethylbutyl)benzenecarboximidamide (PubChem CID 79822282) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(2,3,3-trimethylbutyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,3,3-trimethylbutyl)benzenecarboximidamide
PubChem CID79822282
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(2,3,3-trimethylbutyl)benzenecarboximidamide
SMILESCC(C/N=C(\N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2/c1-11(14(2,3)4)10-16-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,15,16)
InChIKeyHIGJHDWEBMHHSF-UHFFFAOYSA-N
XLogP3.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.07
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'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
CID 114944271
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
benzamide;2,3-dimethylbutane
CID 162214835
N'-[2-(methylamino)ethyl]benzenecarboximidamide
CID 89222579
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
N'-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 63175435
N'-diethylphosphanylbenzenecarboximidamide
CID 175989324
3-[[amino(phenyl)methylidene]amino]-3-methylbutanamide
CID 106098545
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
CID 15258622
N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,3-trimethylbutyl)benzenecarboximidamide?
The IUPAC name of N'-(2,3,3-trimethylbutyl)benzenecarboximidamide (CID 79822282) is N'-(2,3,3-trimethylbutyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2,3,3-trimethylbutyl)benzenecarboximidamide?
The canonical SMILES for N'-(2,3,3-trimethylbutyl)benzenecarboximidamide is CC(C/N=C(\N)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-(2,3,3-trimethylbutyl)benzenecarboximidamide?
The InChIKey is HIGJHDWEBMHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(14(2,3)4)10-16-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H2,15,16).
What are the key properties of N'-(2,3,3-trimethylbutyl)benzenecarboximidamide?
N'-(2,3,3-trimethylbutyl)benzenecarboximidamide has a molecular weight of 218.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,3-trimethylbutyl)benzenecarboximidamide is sourced from PubChem (CID 79822282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).