N-(pentan-3-ylideneamino)aniline

C11H16N2 — CID 13082670

IUPACN-(pentan-3-ylideneamino)aniline
SMILESCCC(CC)=NNc1ccccc1
InChIInChI=1S/C11H16N2/c1-3-10(4-2)12-13-11-8-6-5-7-9-11/h5-9,13H,3-4H2,1-2H3
InChIKeyYMHWUMAUQXCMBS-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.27
Rot. Bonds4

About N-(pentan-3-ylideneamino)aniline

N-(pentan-3-ylideneamino)aniline (PubChem CID 13082670) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(pentan-3-ylideneamino)aniline.

Molecular Properties

Compound NameN-(pentan-3-ylideneamino)aniline
PubChem CID13082670
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(pentan-3-ylideneamino)aniline
SMILESCCC(CC)=NNc1ccccc1
InChIInChI=1S/C11H16N2/c1-3-10(4-2)12-13-11-8-6-5-7-9-11/h5-9,13H,3-4H2,1-2H3
InChIKeyYMHWUMAUQXCMBS-UHFFFAOYSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.27
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-(pentan-3-ylideneamino)aniline?
The IUPAC name of N-(pentan-3-ylideneamino)aniline (CID 13082670) is N-(pentan-3-ylideneamino)aniline.
What is the SMILES notation for N-(pentan-3-ylideneamino)aniline?
The canonical SMILES for N-(pentan-3-ylideneamino)aniline is CCC(CC)=NNc1ccccc1.
What is the InChIKey of N-(pentan-3-ylideneamino)aniline?
The InChIKey is YMHWUMAUQXCMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-10(4-2)12-13-11-8-6-5-7-9-11/h5-9,13H,3-4H2,1-2H3.
What are the key properties of N-(pentan-3-ylideneamino)aniline?
N-(pentan-3-ylideneamino)aniline has a molecular weight of 176.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-3-ylideneamino)aniline is sourced from PubChem (CID 13082670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).