N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline

C16H19N — CID 122534853

IUPACN-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline
SMILESC=CC1=C(C)/C(=C/Nc2ccccc2)CCC1
InChIInChI=1S/C16H19N/c1-3-14-8-7-9-15(13(14)2)12-17-16-10-5-4-6-11-16/h3-6,10-12,17H,1,7-9H2,2H3/b15-12+
InChIKeyKQXJYQFJVKAOAD-NTCAYCPXSA-N
MW225.34 g/mol
LogP4.67
Rot. Bonds3

About N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline

N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline (PubChem CID 122534853) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline.

Molecular Properties

Compound NameN-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline
PubChem CID122534853
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC NameN-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline
SMILESC=CC1=C(C)/C(=C/Nc2ccccc2)CCC1
InChIInChI=1S/C16H19N/c1-3-14-8-7-9-15(13(14)2)12-17-16-10-5-4-6-11-16/h3-6,10-12,17H,1,7-9H2,2H3/b15-12+
InChIKeyKQXJYQFJVKAOAD-NTCAYCPXSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline?
The IUPAC name of N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline (CID 122534853) is N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline.
What is the SMILES notation for N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline?
The canonical SMILES for N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline is C=CC1=C(C)/C(=C/Nc2ccccc2)CCC1.
What is the InChIKey of N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline?
The InChIKey is KQXJYQFJVKAOAD-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H19N/c1-3-14-8-7-9-15(13(14)2)12-17-16-10-5-4-6-11-16/h3-6,10-12,17H,1,7-9H2,2H3/b15-12+.
What are the key properties of N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline?
N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline has a molecular weight of 225.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethenyl-2-methylcyclohex-2-en-1-ylidene)methyl]aniline is sourced from PubChem (CID 122534853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).