N-[(Z)-3-methylbutan-2-ylideneamino]aniline

C11H16N2 — CID 5484372

IUPACN-[(Z)-3-methylbutan-2-ylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)10(3)12-13-11-7-5-4-6-8-11/h4-9,13H,1-3H3/b12-10-
InChIKeyFMMTYPMNEMQQSY-BENRWUELSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds3

About N-[(Z)-3-methylbutan-2-ylideneamino]aniline

N-[(Z)-3-methylbutan-2-ylideneamino]aniline (PubChem CID 5484372) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-3-methylbutan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-3-methylbutan-2-ylideneamino]aniline
PubChem CID5484372
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-3-methylbutan-2-ylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1)C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)10(3)12-13-11-7-5-4-6-8-11/h4-9,13H,1-3H3/b12-10-
InChIKeyFMMTYPMNEMQQSY-BENRWUELSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
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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Related Compounds

Carbonyl cyanide phenylhydrazone
CID 67541
2-Propanone, 2-phenylhydrazone
CID 66026
2-Butanone, 3-methyl-, 2-phenylhydrazone
CID 9576162
2-Butanone, 2-phenylhydrazone
CID 9576180
2,3-Butanedione bis(phenylhydrazone)
CID 9613832
2,3-Butanedione mono(phenyl hydrazone)
CID 5937514
Acetaldehyde, phenylhydrazone
CID 6537404
Formaldehyde phenylhydrazone
CID 248383
2-Propenal, phenylhydrazone
CID 9561609
Butan-2-one phenylhydrazone
CID 101985
2,3-Butanedione,2-(2-phenylhydrazone)
CID 5368725
N-[3-(phenylhydrazinylidene)butan-2-ylideneamino]aniline
CID 230287

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylbutan-2-ylideneamino]aniline?
The IUPAC name of N-[(Z)-3-methylbutan-2-ylideneamino]aniline (CID 5484372) is N-[(Z)-3-methylbutan-2-ylideneamino]aniline.
What is the SMILES notation for N-[(Z)-3-methylbutan-2-ylideneamino]aniline?
The canonical SMILES for N-[(Z)-3-methylbutan-2-ylideneamino]aniline is C/C(=N/Nc1ccccc1)C(C)C.
What is the InChIKey of N-[(Z)-3-methylbutan-2-ylideneamino]aniline?
The InChIKey is FMMTYPMNEMQQSY-BENRWUELSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)10(3)12-13-11-7-5-4-6-8-11/h4-9,13H,1-3H3/b12-10-.
What are the key properties of N-[(Z)-3-methylbutan-2-ylideneamino]aniline?
N-[(Z)-3-methylbutan-2-ylideneamino]aniline has a molecular weight of 176.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylbutan-2-ylideneamino]aniline is sourced from PubChem (CID 5484372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).