3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide

C15H24N2 — CID 142243155

IUPAC3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(C)CC(C)C(C)C)c1
InChIInChI=1S/C15H24N2/c1-10(2)11(3)8-12(4)13-6-5-7-14(9-13)15(16)17/h5-7,9-12H,8H2,1-4H3,(H3,16,17)
InChIKeyBEVNVTVNEXBYQR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.76
Rot. Bonds5

About 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide

3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide (PubChem CID 142243155) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide
PubChem CID142243155
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(C)CC(C)C(C)C)c1
InChIInChI=1S/C15H24N2/c1-10(2)11(3)8-12(4)13-6-5-7-14(9-13)15(16)17/h5-7,9-12H,8H2,1-4H3,(H3,16,17)
InChIKeyBEVNVTVNEXBYQR-UHFFFAOYSA-N
XLogP3.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
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

3-butan-2-ylbenzenecarboximidamide
CID 129164232
3-(3-chloro-1,2-dihydroxypropyl)benzenecarboximidamide
CID 171862004
3-(4-bromo-1,2-dihydroxybutyl)benzenecarboximidamide
CID 171891979
methyl 4-(3-carbamimidoylphenyl)-3,4-dihydroxybutanoate
CID 171895560
3-[[(2S)-4-methylpentan-2-yl]amino]benzenecarboximidamide
CID 70078867
3-(4-azido-1,2-dihydroxybutyl)benzenecarboximidamide
CID 171879435
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
CID 54999579
3-(3-benzoylphenyl)butanimidamide;hydrochloride
CID 141113823
3-(3-methylbutylamino)benzenecarboximidamide
CID 70080138
3-sulfanylbenzenecarboximidamide
CID 69159686
3-cyanobenzenecarboximidamide;propan-2-ol;hydrochloride
CID 174976207

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide?
The IUPAC name of 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide (CID 142243155) is 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide.
What is the SMILES notation for 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide?
The canonical SMILES for 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(C(C)CC(C)C(C)C)c1.
What is the InChIKey of 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide?
The InChIKey is BEVNVTVNEXBYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10(2)11(3)8-12(4)13-6-5-7-14(9-13)15(16)17/h5-7,9-12H,8H2,1-4H3,(H3,16,17).
What are the key properties of 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide?
3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide has a molecular weight of 232.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 142243155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).