N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline

C18H22N2 — CID 10333162

IUPACN-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline
SMILESCCC/C(Cc1ccccc1)=N/N(C)c1ccccc1
InChIInChI=1S/C18H22N2/c1-3-10-17(15-16-11-6-4-7-12-16)19-20(2)18-13-8-5-9-14-18/h4-9,11-14H,3,10,15H2,1-2H3/b19-17-
InChIKeyCBNILLKIWNDIAQ-ZPHPHTNESA-N
MW266.39 g/mol
LogP4.52
Rot. Bonds6

About N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline

N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline (PubChem CID 10333162) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline
PubChem CID10333162
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline
SMILESCCC/C(Cc1ccccc1)=N/N(C)c1ccccc1
InChIInChI=1S/C18H22N2/c1-3-10-17(15-16-11-6-4-7-12-16)19-20(2)18-13-8-5-9-14-18/h4-9,11-14H,3,10,15H2,1-2H3/b19-17-
InChIKeyCBNILLKIWNDIAQ-ZPHPHTNESA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.52
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-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
N-(1-ethoxybutan-2-ylideneamino)-N-methylaniline
CID 87707470
N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
N-hex-2-en-3-yl-N-methylaniline
CID 76766194
2-[methyl(phenyl)hydrazinylidene]propanedioic acid
CID 165345794
N,1-diphenylbutan-2-imine
CID 13015455
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658
N,N-diphenylaniline;phenylmethanol
CID 174958363
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
ethanol;phenylmethanol;zirconium
CID 150575485

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline?
The IUPAC name of N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline (CID 10333162) is N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline is CCC/C(Cc1ccccc1)=N/N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline?
The InChIKey is CBNILLKIWNDIAQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H22N2/c1-3-10-17(15-16-11-6-4-7-12-16)19-20(2)18-13-8-5-9-14-18/h4-9,11-14H,3,10,15H2,1-2H3/b19-17-.
What are the key properties of N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline?
N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-1-phenylpentan-2-ylideneamino]aniline is sourced from PubChem (CID 10333162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).