3-butan-2-ylbenzenecarboximidamide

C11H16N2 — CID 129164232

IUPAC3-butan-2-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(C)CC)c1
InChIInChI=1S/C11H16N2/c1-3-8(2)9-5-4-6-10(7-9)11(12)13/h4-8H,3H2,1-2H3,(H3,12,13)
InChIKeyBGXPOCHMVONWFE-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.48
Rot. Bonds3

About 3-butan-2-ylbenzenecarboximidamide

3-butan-2-ylbenzenecarboximidamide (PubChem CID 129164232) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-butan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-butan-2-ylbenzenecarboximidamide
PubChem CID129164232
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-butan-2-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C(C)CC)c1
InChIInChI=1S/C11H16N2/c1-3-8(2)9-5-4-6-10(7-9)11(12)13/h4-8H,3H2,1-2H3,(H3,12,13)
InChIKeyBGXPOCHMVONWFE-UHFFFAOYSA-N
XLogP2.48
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylbenzenecarboximidamide?
The IUPAC name of 3-butan-2-ylbenzenecarboximidamide (CID 129164232) is 3-butan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 3-butan-2-ylbenzenecarboximidamide?
The canonical SMILES for 3-butan-2-ylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C(C)CC)c1.
What is the InChIKey of 3-butan-2-ylbenzenecarboximidamide?
The InChIKey is BGXPOCHMVONWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-8(2)9-5-4-6-10(7-9)11(12)13/h4-8H,3H2,1-2H3,(H3,12,13).
What are the key properties of 3-butan-2-ylbenzenecarboximidamide?
3-butan-2-ylbenzenecarboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 129164232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).