N-(butan-2-ylideneamino)-N-phenylaniline

C16H18N2 — CID 86007817

IUPACN-(butan-2-ylideneamino)-N-phenylaniline
SMILESCCC(C)=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-3-14(2)17-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyZCJAROZUXVPKAQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.61
Rot. Bonds4

About N-(butan-2-ylideneamino)-N-phenylaniline

N-(butan-2-ylideneamino)-N-phenylaniline (PubChem CID 86007817) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-N-phenylaniline.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-N-phenylaniline
PubChem CID86007817
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(butan-2-ylideneamino)-N-phenylaniline
SMILESCCC(C)=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-3-14(2)17-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyZCJAROZUXVPKAQ-UHFFFAOYSA-N
XLogP4.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.61
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-(butan-2-ylideneamino)-N-phenylaniline?
The IUPAC name of N-(butan-2-ylideneamino)-N-phenylaniline (CID 86007817) is N-(butan-2-ylideneamino)-N-phenylaniline.
What is the SMILES notation for N-(butan-2-ylideneamino)-N-phenylaniline?
The canonical SMILES for N-(butan-2-ylideneamino)-N-phenylaniline is CCC(C)=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(butan-2-ylideneamino)-N-phenylaniline?
The InChIKey is ZCJAROZUXVPKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-14(2)17-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3.
What are the key properties of N-(butan-2-ylideneamino)-N-phenylaniline?
N-(butan-2-ylideneamino)-N-phenylaniline has a molecular weight of 238.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-N-phenylaniline is sourced from PubChem (CID 86007817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).