2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide

C18H23N3 — CID 62307762

IUPAC2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C18H23N3/c1-13(2)21(12-15-7-5-4-6-8-15)17-11-14(3)9-10-16(17)18(19)20/h4-11,13H,12H2,1-3H3,(H3,19,20)
InChIKeyALIQGXDUYQKMJT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.69
Rot. Bonds5

About 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide

2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide (PubChem CID 62307762) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
PubChem CID62307762
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C18H23N3/c1-13(2)21(12-15-7-5-4-6-8-15)17-11-14(3)9-10-16(17)18(19)20/h4-11,13H,12H2,1-3H3,(H3,19,20)
InChIKeyALIQGXDUYQKMJT-UHFFFAOYSA-N
XLogP3.69
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide (CID 62307762) is 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(Cc1ccccc1)C(C)C.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide?
The InChIKey is ALIQGXDUYQKMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13(2)21(12-15-7-5-4-6-8-15)17-11-14(3)9-10-16(17)18(19)20/h4-11,13H,12H2,1-3H3,(H3,19,20).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide?
2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide has a molecular weight of 281.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62307762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).