N-(pentan-3-ylideneamino)-N-phenylaniline

C17H20N2 — CID 86243850

IUPACN-(pentan-3-ylideneamino)-N-phenylaniline
SMILESCCC(CC)=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-3-15(4-2)18-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3
InChIKeyFAKSRFGXBRVNCV-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.00
Rot. Bonds5

About N-(pentan-3-ylideneamino)-N-phenylaniline

N-(pentan-3-ylideneamino)-N-phenylaniline (PubChem CID 86243850) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(pentan-3-ylideneamino)-N-phenylaniline.

Molecular Properties

Compound NameN-(pentan-3-ylideneamino)-N-phenylaniline
PubChem CID86243850
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-(pentan-3-ylideneamino)-N-phenylaniline
SMILESCCC(CC)=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-3-15(4-2)18-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3
InChIKeyFAKSRFGXBRVNCV-UHFFFAOYSA-N
XLogP5.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
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

N-Nitrosodiphenylamine
CID 6838
N,N-Diphenylhydrazine
CID 10739
3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
Acetaldehyde diphenylhydrazone
CID 9562463
2,3-Butanedione bis(phenylhydrazone)
CID 9613832
1-Phenylethanone 2,2-diphenylhydrazone
CID 107456
1,1,2,2-Tetraphenylhydrazine
CID 96041
1,2-Diethyl-1,2-diphenylhydrazine
CID 3346567
N-[3-(phenylhydrazinylidene)butan-2-ylideneamino]aniline
CID 230287
Hydrazine, 1,2-dimethyl-1,2-diphenyl-
CID 139873
N-phenyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]aniline
CID 137633513
4-(Phenylamino)-2-(phenylimino)-3-pentene
CID 1284736

Frequently Asked Questions

What is the IUPAC name of N-(pentan-3-ylideneamino)-N-phenylaniline?
The IUPAC name of N-(pentan-3-ylideneamino)-N-phenylaniline (CID 86243850) is N-(pentan-3-ylideneamino)-N-phenylaniline.
What is the SMILES notation for N-(pentan-3-ylideneamino)-N-phenylaniline?
The canonical SMILES for N-(pentan-3-ylideneamino)-N-phenylaniline is CCC(CC)=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(pentan-3-ylideneamino)-N-phenylaniline?
The InChIKey is FAKSRFGXBRVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-15(4-2)18-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3.
What are the key properties of N-(pentan-3-ylideneamino)-N-phenylaniline?
N-(pentan-3-ylideneamino)-N-phenylaniline has a molecular weight of 252.36 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentan-3-ylideneamino)-N-phenylaniline is sourced from PubChem (CID 86243850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).