N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline

C16H24N2 — CID 143656340

IUPACN-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline
SMILESCCCC(C)C(/C=C(\C)Nc1ccccc1)=N\C
InChIInChI=1S/C16H24N2/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15/h6-8,10-13,18H,5,9H2,1-4H3/b14-12+,17-16-
InChIKeyFGNJAZKHVWXLNJ-JVCJPLAKSA-N
MW244.38 g/mol
LogP4.51
Rot. Bonds6

About N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline

N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline (PubChem CID 143656340) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline
PubChem CID143656340
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline
SMILESCCCC(C)C(/C=C(\C)Nc1ccccc1)=N\C
InChIInChI=1S/C16H24N2/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15/h6-8,10-13,18H,5,9H2,1-4H3/b14-12+,17-16-
InChIKeyFGNJAZKHVWXLNJ-JVCJPLAKSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]-1,2-thiazol-5-amine
CID 143439994
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
2-methyl-N-phenylpentanamide
CID 4627801
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143656319
(E)-3-anilinobut-2-enoic acid
CID 89350388
N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline
CID 163554773
(2S)-2-anilinopentanoic acid
CID 22847649
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
CID 7218963
(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide
CID 14175926
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
1-ethyl-2-methyl-3-phenylguanidine
CID 140989198

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline?
The IUPAC name of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline (CID 143656340) is N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline.
What is the SMILES notation for N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline?
The canonical SMILES for N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline is CCCC(C)C(/C=C(\C)Nc1ccccc1)=N\C.
What is the InChIKey of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline?
The InChIKey is FGNJAZKHVWXLNJ-JVCJPLAKSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-9-13(2)16(17-4)12-14(3)18-15-10-7-6-8-11-15/h6-8,10-13,18H,5,9H2,1-4H3/b14-12+,17-16-.
What are the key properties of N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline?
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline has a molecular weight of 244.38 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline is sourced from PubChem (CID 143656340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).