2-(propan-2-ylideneamino)aniline

C9H12N2 — CID 55285810

IUPAC2-(propan-2-ylideneamino)aniline
SMILESCC(C)=Nc1ccccc1N
InChIInChI=1S/C9H12N2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,10H2,1-2H3
InChIKeyFEVWBVFTBBKQAQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.38
Rot. Bonds1

About 2-(propan-2-ylideneamino)aniline

2-(propan-2-ylideneamino)aniline (PubChem CID 55285810) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)aniline.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)aniline
PubChem CID55285810
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(propan-2-ylideneamino)aniline
SMILESCC(C)=Nc1ccccc1N
InChIInChI=1S/C9H12N2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,10H2,1-2H3
InChIKeyFEVWBVFTBBKQAQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)aniline?
The IUPAC name of 2-(propan-2-ylideneamino)aniline (CID 55285810) is 2-(propan-2-ylideneamino)aniline.
What is the SMILES notation for 2-(propan-2-ylideneamino)aniline?
The canonical SMILES for 2-(propan-2-ylideneamino)aniline is CC(C)=Nc1ccccc1N.
What is the InChIKey of 2-(propan-2-ylideneamino)aniline?
The InChIKey is FEVWBVFTBBKQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,10H2,1-2H3.
What are the key properties of 2-(propan-2-ylideneamino)aniline?
2-(propan-2-ylideneamino)aniline has a molecular weight of 148.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)aniline is sourced from PubChem (CID 55285810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).