N-[(Z)-butan-2-ylideneamino]aniline

C10H14N2 — CID 5484472

IUPACN-[(Z)-butan-2-ylideneamino]aniline
SMILESCC/C(C)=N\Nc1ccccc1
InChIInChI=1S/C10H14N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3/b11-9-
InChIKeyBPAJPMUNAALLEK-LUAWRHEFSA-N
MW162.24 g/mol
LogP2.88
Rot. Bonds3

About N-[(Z)-butan-2-ylideneamino]aniline

N-[(Z)-butan-2-ylideneamino]aniline (PubChem CID 5484472) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]aniline
PubChem CID5484472
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(Z)-butan-2-ylideneamino]aniline
SMILESCC/C(C)=N\Nc1ccccc1
InChIInChI=1S/C10H14N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3/b11-9-
InChIKeyBPAJPMUNAALLEK-LUAWRHEFSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]aniline?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]aniline (CID 5484472) is N-[(Z)-butan-2-ylideneamino]aniline.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]aniline?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]aniline is CC/C(C)=N\Nc1ccccc1.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]aniline?
The InChIKey is BPAJPMUNAALLEK-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3/b11-9-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]aniline?
N-[(Z)-butan-2-ylideneamino]aniline has a molecular weight of 162.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]aniline is sourced from PubChem (CID 5484472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).